RefChem:434839
TL;DR: RefChem:434839 (CAS 67674-29-7) is a chemical compound with molecular formula C20H20N2O12S3 and molecular weight 576.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2,4-dimethoxy-6-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
Also Known As: 1-Naphthalenesulfonic acid, 3-[[2,4-dimethoxy-6-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-4-hydroxy-, 1-Naphthalenesulfonic acid, 3-((2,4-dimethoxy-6-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4-hydroxy-, 1-Naphthalenesulfonic acid, 3-(2-(2,4-dimethoxy-6-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4-hydroxy-, 3-[[2,4-dimethoxy-6-[[2- ethyl]sulphonyl]phenyl]azo]-4-hydroxynaphthalene-1-sulphonicacid, (3E)-3-[[2,4-dimethoxy-6-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonic acid
| Molecular Formula | C20H20N2O12S3 |
|---|---|
| Molecular Weight | 576.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 241.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 576.0178 |
| Heavy Atoms | 37 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 67674-29-7 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)S(=O)(=O)CCOS(=O)(=O)O)N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O)OC |
| InChIKey | PWYLBTOLSOJCAB-UHFFFAOYSA-N |
Product Overview
RefChem:434839 (CAS 67674-29-7), with molecular formula C20H20N2O12S3 and molecular weight 576.02 g/mol. IUPAC: 3-[[2,4-dimethoxy-6-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid.
Chemical Property Profile of RefChem:434839
Property Insights of RefChem:434839
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:434839. The TPSA of 241.0 Ų indicates high polarity, suggesting RefChem:434839 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:434839 has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:434839?
The CAS number of RefChem:434839 is 67674-29-7.
What is the molecular formula of RefChem:434839?
The molecular formula of RefChem:434839 is C20H20N2O12S3.
What is the molecular weight of RefChem:434839?
The molecular weight of RefChem:434839 is 576.02 g/mol.
Where can I buy RefChem:434839?
You can request a quote for RefChem:434839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:434839?
Yes, KEHONG BIO provides custom synthesis services for RefChem:434839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.