Welcome to LookChem.com Sign In|Join Free
  • or
Home > Pharmaceutical > 63549 > 

63549-43-9

Products Categories

Basic Information
CAS No.: 63549-43-9
Name: 4-[bis(2,3,6,7-tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizin-9-yl)methyl]benzene-1,3-disulphonic acid
Molecular Structure:
Molecular Structure of 63549-43-9 (4-[bis(2,3,6,7-tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizin-9-yl)methyl]benzene-1,3-disulphonic acid)
Formula: C31H34N2O8S2
Molecular Weight: 626.7403
Synonyms: 4-[Bis[(2, 3, 6, 7-tetrahydro-8-hydroxy-1H, 5H-benzo[ij]quinolizin)-9-yl]methyl]-1, 3-benzenedisulfonic acid;
EINECS: 264-305-2
Density: 1.64 g/cm3
PSA: 172.44000
LogP: 6.46060
Related products
Hot Products
  • Display:default sort

    New supplier

  • Total:5 Page 1 of 1 1
Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 63549-43-9

Specification

The 1, 3-Benzenedisulfonicacid, 4-[bis(2, 3, 6, 7-tetrahydro-8-hydroxy-1H, 5H-benzo[ij]quinolizin-9-yl)methyl]-, with the CAS registry number 63549-43-9, is also known as 4-[Bis[(2, 3, 6, 7-tetrahydro-8-hydroxy-1H, 5H-benzo[ij]quinolizin)-9-yl]methyl]-1, 3-benzenedisulfonic acid. Its EINECS registry number is 264-305-2. This chemical's molecular formula is C31H34N2O8S2 and molecular weight is 626.7403. What's more, its systematic name is 4-[Bis(8-hydroxy-2, 3, 6, 7-tetrahydro-1H, 5H-pyrido[3, 2, 1-ij]quinolin-9-yl)methyl]benzene-1, 3-disulfonic acid.

Physical properties about 1, 3-Benzenedisulfonicacid, 4-[bis(2, 3, 6, 7-tetrahydro-8-hydroxy-1H, 5H-benzo[ij]quinolizin-9-yl)methyl]- are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.93; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 128.44 Å2; (13)Index of Refraction: 1.779; (14)Molar Refractivity: 159.66 cm3; (15)Molar Volume: 380.9 cm3; (16)Polarizability: 63.29×10-24 cm3; (17)Surface Tension: 103.3 dyne/cm; (18)Density: 1.64 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1ccc(c(c1)S(=O)(=O)O)C(c2cc4c3c(c2O)CCCN3CCC4)c7cc5c6N(CCC5)CCCc6c7O
(2) InChI: InChI=1/C31H34N2O8S2/c34-30-22-7-3-13-32-11-1-5-18(28(22)32)15-24(30)27(21-10-9-20(42(36,37)38)17-26(21)43(39,40)41)25-16-19-6-2-12-33-14-4-8-23(29(19)33)31(25)35/h9-10,15-17,27,34-35H,1-8,11-14H2,(H,36,37,38)(H,39,40,41)
(3) InChIKey: QIVGPQXLZYCSEP-UHFFFAOYAV