AB00685477-01
TL;DR: AB00685477-01 (CAS 681832-44-0) is a chemical compound with molecular formula C21H18N2O6S2 and molecular weight 458.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
Also Known As: AB00685477-01, F1063-0163, 2-{2-[(5Z)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETAMIDO}BENZOIC ACID, (Z)-2-(2-(5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamido)benzoic acid, 2-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
| Molecular Formula | C21H18N2O6S2 |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | 3.2419 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.06064 |
| Heavy Atoms | 31 |
| Complexity | 1099.0276 |
Chemical Identifiers
| CAS Number | 681832-44-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NC3=CC=CC=C3C(=O)O)OC |
Product Overview
AB00685477-01 (CAS 681832-44-0), with molecular formula C21H18N2O6S2 and molecular weight 458.06 g/mol. IUPAC: 2-[[2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid.
Chemical Property Profile of AB00685477-01
Property Insights of AB00685477-01
The XLogP value of 3.2419 indicates that AB00685477-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685477-01. Following Lipinski's Rule of Five, AB00685477-01 has 2 hydrogen bond donor(s) and 7 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 AB00685477-01?
The CAS number of AB00685477-01 is 681832-44-0.
What is the molecular formula of AB00685477-01?
The molecular formula of AB00685477-01 is C21H18N2O6S2.
What is the molecular weight of AB00685477-01?
The molecular weight of AB00685477-01 is 458.06 g/mol.
Where can I buy AB00685477-01?
You can request a quote for AB00685477-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685477-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685477-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.