EINECS 269-983-3
TL;DR: EINECS 269-983-3 (CAS 68399-72-4) is a chemical compound with molecular formula C35H23N5O6S5 and molecular weight 769.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[4-[[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
Also Known As: EINECS 269-983-3, Barium 2',2'''-(azodi-4,1-phenylene)bis(6-methyl(2,6'-bibenzothiazole)-7-sulphonate), (2,6'-Bibenzothiazole)-7-sulfonic acid, 2',2'''-(1,2-diazenediyldi-4,1-phenylene)bis(6-methyl-, barium salt (1:1), (2,6'-Bibenzothiazole)-7-sulfonic acid, 2',2'''-(azodi-4,1-phenylene)bis(6-methyl-, barium salt (1:1), Barium 2',2'''-(azodi-4,1-phenylene)bis[6-methyl[2,6'-bibenzothiazole]-7-sulfonate]
| Molecular Formula | C35H23N5O6S5 |
|---|---|
| Molecular Weight | 769.03 g/mol |
| LogP | 10.04234 |
| Topological Polar Surface Area | 172.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 769.0252 |
| Heavy Atoms | 51 |
| Complexity | 2932.3374 |
Chemical Identifiers
| CAS Number | 68399-72-4 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4=CC=C(C=C4)C5=NC6=C(S5)C=C(C=C6)C7=NC8=C(S7)C(=C(C=C8)C)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
EINECS 269-983-3 (CAS 68399-72-4), with molecular formula C35H23N5O6S5 and molecular weight 769.03 g/mol. IUPAC: 6-methyl-2-[4-[[4-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of EINECS 269-983-3
Property Insights of EINECS 269-983-3
The XLogP value of 10.04234 indicates that EINECS 269-983-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.13 Ų indicates high polarity, suggesting EINECS 269-983-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 269-983-3 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 269-983-3?
The CAS number of EINECS 269-983-3 is 68399-72-4.
What is the molecular formula of EINECS 269-983-3?
The molecular formula of EINECS 269-983-3 is C35H23N5O6S5.
What is the molecular weight of EINECS 269-983-3?
The molecular weight of EINECS 269-983-3 is 769.03 g/mol.
Where can I buy EINECS 269-983-3?
You can request a quote for EINECS 269-983-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 269-983-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 269-983-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.