3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid

Base Information

Chemical Name:3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
CAS No.:327092-81-9
Molecular Formula:C₁₆H₁₅NO₄S
Molecular Weight:317.365
Hs Code.:2933499090
DSSTox Substance ID:DTXSID20351900
Wikidata:Q27451394
Pharos Ligand ID:G6F6Z4QGZPZQ
ChEMBL ID:CHEMBL1566492
Mol file:327092-81-9.mol

Synonyms:327092-81-9;3-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid;AKR1C3-IN-1;3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid;3-(3,4-Dihydro-1H-isoquinoline-2-sulfonyl)-benzoic acid;CRT0036521;CHEMBL1566492;3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid;3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid;3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid;TimTec1_006094;Oprea1_065304;MLS001204143;SCHEMBL2011206;3-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoicacid;DTXSID20351900;ZGVIUMKHTXKKOX-UHFFFAOYSA-N;HMS1551E22;HMS2843O18;HMS3749G07;EX-A5287;BDBM50396676;CCG-17942;MFCD01197550;STK664075;AKOS000114672;CS-7878;NCGC00390451-01;AS-70101;SMR000523422;HY-107379;EU-0040696;EN300-00303;D82669;AB00032146-01;Q27451394;Z53035377;3-(3,4dihydroisoquinoline-2(1h)-ylsulfonyl) benzoic acid;Benzoic acid, 3-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)-;3-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLSULFONYL]BENZOIC ACID;0SZ

Suppliers and Price of 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

SynQuest Laboratories
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid 98%
1 g
$ 108.00

Matrix Scientific
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
0.500g
$ 120.00

Matrix Scientific
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
1g
$ 150.00

Matrix Scientific
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
5g
$ 460.00

Crysdot
3-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoicacid 95+%
5g
$ 349.00

Chemenu
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoicacid 95%
5g
$ 329.00

Biosynth Carbosynth
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
1 g
$ 128.00

Biosynth Carbosynth
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
2 g
$ 218.00

Biosynth Carbosynth
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
500 mg
$ 75.00

Biosynth Carbosynth
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
5 g
$ 436.00

Total 9 raw suppliers

Chemical Property of 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid

Chemical Property:

Boiling Point:555.1±60.0 °C(Predicted)
PKA:3.72±0.10(Predicted)
Density:1.397±0.06 g/cm3(Predicted)
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:317.07217913
Heavy Atom Count:22
Complexity:513

Purity/Quality:

97% ^*data from raw suppliers

3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Technology Process of 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid

There total 1 articles about 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 50.0%