EINECS 269-999-0
TL;DR: EINECS 269-999-0 (CAS 68399-92-8) is a chemical compound with molecular formula C18H22ClN3O14S4 and molecular weight 666.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-chlorophenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate
Also Known As: 2,2'-((3-Chloro-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)phenyl)imino)bisethyl bis(hydrogensulphate), 2-({4-[(e)-(4-{bis[2-(sulfooxy)ethyl]amino}-2-chlorophenyl)diazenyl]phenyl}sulfonyl)ethylhydrogen sulfate, 2,2'-[[3-chloro-4-[[4-[[2- ethyl]sulphonyl]phenyl]azo]phenyl]imino]bisethylbis, (2-{[3-chloro-4-(2-{4-[2-(sulfooxy)ethanesulfonyl]phenyl}diazen-1-yl)phenyl][2-(sulfooxy)ethyl]amino}ethoxy)sulfonic acid, 2,2 -[[3-Chloro-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenyl]imino]diethanol bis(hydrogen sulfate)
| Molecular Formula | C18H22ClN3O14S4 |
|---|---|
| Molecular Weight | 666.97 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 286.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Exact Mass | 666.9673 |
| Heavy Atoms | 40 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 68399-92-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N(CCOS(=O)(=O)O)CCOS(=O)(=O)O)Cl)S(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | FTENRQAJNISAOG-UHFFFAOYSA-N |
Product Overview
EINECS 269-999-0 (CAS 68399-92-8), with molecular formula C18H22ClN3O14S4 and molecular weight 666.97 g/mol. IUPAC: 2-[4-[[4-[bis(2-sulfooxyethyl)amino]-2-chlorophenyl]diazenyl]phenyl]sulfonylethyl hydrogen sulfate.
Chemical Property Profile of EINECS 269-999-0
Property Insights of EINECS 269-999-0
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 269-999-0. The TPSA of 286.0 Ų indicates high polarity, suggesting EINECS 269-999-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 269-999-0 has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 269-999-0?
The CAS number of EINECS 269-999-0 is 68399-92-8.
What is the molecular formula of EINECS 269-999-0?
The molecular formula of EINECS 269-999-0 is C18H22ClN3O14S4.
What is the molecular weight of EINECS 269-999-0?
The molecular weight of EINECS 269-999-0 is 666.97 g/mol.
Where can I buy EINECS 269-999-0?
You can request a quote for EINECS 269-999-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 269-999-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 269-999-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.