EINECS 273-385-8
TL;DR: EINECS 273-385-8 (CAS 68958-99-6) is a chemical compound with molecular formula C28H24N6Na2O9S2 and molecular weight 698.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[[3-methoxy-4-[[2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 3-[[3-methoxy-4-[[[[2-methoxy-5-methyl-4-[(3-sulfophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-, disodium salt, disodium 3-[(e)-{3-methoxy-4-[({2-methoxy-5-methyl-4-[(e)-(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl]benzenesulfonate, Benzenesulfonic acid, 3-((3-methoxy-4-((((2-methoxy-5-methyl-4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-, disodium salt, Benzenesulfonic acid, 3-(2-(3-methoxy-4-((((2-methoxy-5-methyl-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-, sodium salt (1:2), Benzenesulfonic acid, m-((5-methoxy-4-(3-(2-methoxy-4-((m-sulfophenyl)azo)phenyl)ureido)-o-tolyl)azo)-, disodium salt
| Molecular Formula | C28H24N6Na2O9S2 |
|---|---|
| Molecular Weight | 698.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 698.08417 |
| Heavy Atoms | 47 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 68958-99-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)[O-])OC)NC(=O)NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])OC.[Na+].[Na+] |
| InChIKey | XLILCWUYTWMKAB-UHFFFAOYSA-L |
Product Overview
EINECS 273-385-8 (CAS 68958-99-6), with molecular formula C28H24N6Na2O9S2 and molecular weight 698.08 g/mol. IUPAC: disodium;3-[[3-methoxy-4-[[2-methoxy-5-methyl-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate.
Chemical Property Profile of EINECS 273-385-8
Property Insights of EINECS 273-385-8
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 273-385-8. The TPSA of 240.0 Ų indicates high polarity, suggesting EINECS 273-385-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 273-385-8 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 273-385-8?
The CAS number of EINECS 273-385-8 is 68958-99-6.
What is the molecular formula of EINECS 273-385-8?
The molecular formula of EINECS 273-385-8 is C28H24N6Na2O9S2.
What is the molecular weight of EINECS 273-385-8?
The molecular weight of EINECS 273-385-8 is 698.08 g/mol.
Where can I buy EINECS 273-385-8?
You can request a quote for EINECS 273-385-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 273-385-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 273-385-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.