Baccatin III

Base Information

Chemical Name:Baccatin III
CAS No.:27548-93-2
Molecular Formula:C31H38O11
Molecular Weight:586.636
Hs Code.:29329990
European Community (EC) Number:636-675-9
UNII:40K5PZ0K67
DSSTox Substance ID:DTXSID301029474
Nikkaji Number:J82.234E
Wikipedia:Baccatin_III
Wikidata:Q15410249
NCI Thesaurus Code:C1436
Metabolomics Workbench ID:52081
ChEMBL ID:CHEMBL288043
Mol file:27548-93-2.mol

Synonyms:baccatin III

Suppliers and Price of Baccatin III

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

TRC
Baccatin III
5mg
$ 110.00

TRC
Baccatin III
1g
$ 425.00

TRC
Baccatin III
50mg
$ 185.00

Sigma-Aldrich
Baccatin III ≥95% (HPLC)
5mg
$ 158.00

Medical Isotopes, Inc.
Baccatin III
10 mg
$ 840.00

JR MediChem
baccatin 98%
20mg
$ 400.00

DC Chemicals
Baccatin III >98%
100 mg
$ 550.00

DC Chemicals
Baccatin III >98%
250 mg
$ 800.00

DC Chemicals
Baccatin III >98%
1 g
$ 1600.00

Crysdot
Baccatin III 97%
1g
$ 286.00

Total 108 raw suppliers

Chemical Property of Baccatin III

Chemical Property:

Appearance/Colour:White to off-white powder
Vapor Pressure:0mmHg at 25°C
Melting Point:229-234 °C
Refractive Index:1.5455-1.5475
Boiling Point:713.6 °C at 760 mmHg
PKA:12.76±0.70(Predicted)
Flash Point:226.9 °C
PSA：165.89000
Density:1.38 g/cm³
LogP:1.65260
Storage Temp.:2-8°C
Water Solubility.:insoluble
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:586.24141202
Heavy Atom Count:42
Complexity:1200

Purity/Quality:

99% ^*data from raw suppliers

Baccatin III ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 45-46-22-36/37/38-48/20/22
Safety Statements: 53-22-26-36/37/39-45-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C
Isomeric SMILES:CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C
Uses A precursor to Paclitaxel, a neoplasm inhibitor to ovarian and breast cancers found in Taxus species immunomodulator, induces apoptosis Precursor to paclitaxel

Technology Process of Baccatin III

There total 118 articles about Baccatin III 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: 99.0%