AB00685478-01
TL;DR: AB00685478-01 (CAS 681833-36-3) is a chemical compound with molecular formula C21H18N2O7S2 and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-2-hydroxybenzoic acid
Also Known As: AB00685478-01, F1063-0255, 5-{2-[(5Z)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETAMIDO}-2-HYDROXYBENZOIC ACID, (Z)-5-(2-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamido)-2-hydroxybenzoic acid, 5-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-2-hydroxybenzoic acid
| Molecular Formula | C21H18N2O7S2 |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 2.9475 |
| Topological Polar Surface Area | 125.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.05554 |
| Heavy Atoms | 32 |
| Complexity | 1146.9633 |
Chemical Identifiers
| CAS Number | 681833-36-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CC(=C(C=C3)O)C(=O)O)OC |
Product Overview
AB00685478-01 (CAS 681833-36-3), with molecular formula C21H18N2O7S2 and molecular weight 474.06 g/mol. IUPAC: 5-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-2-hydroxybenzoic acid.
Chemical Property Profile of AB00685478-01
Property Insights of AB00685478-01
The XLogP value of 2.9475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685478-01. The TPSA of 125.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685478-01. Following Lipinski's Rule of Five, AB00685478-01 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00685478-01?
The CAS number of AB00685478-01 is 681833-36-3.
What is the molecular formula of AB00685478-01?
The molecular formula of AB00685478-01 is C21H18N2O7S2.
What is the molecular weight of AB00685478-01?
The molecular weight of AB00685478-01 is 474.06 g/mol.
Where can I buy AB00685478-01?
You can request a quote for AB00685478-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685478-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685478-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.