AE-641/12753438
TL;DR: AE-641/12753438 (CAS 5854-80-8) is a chemical compound with molecular formula C18H13NO4S2 and molecular weight 371.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[3-(3-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: AE-641/12753438, AB00099394-01, 4-{(Z)-[3-(3-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid, 4-{[3-(3-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoi c acid, 4-{[3-(3-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
| Molecular Formula | C18H13NO4S2 |
|---|---|
| Molecular Weight | 371.03 g/mol |
| LogP | 3.7992 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.0286 |
| Heavy Atoms | 25 |
| Complexity | 890.204 |
Chemical Identifiers
| CAS Number | 5854-80-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/SC2=S |
Product Overview
AE-641/12753438 (CAS 5854-80-8), with molecular formula C18H13NO4S2 and molecular weight 371.03 g/mol. IUPAC: 4-[(Z)-[3-(3-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of AE-641/12753438
Property Insights of AE-641/12753438
The XLogP value of 3.7992 indicates that AE-641/12753438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/12753438. Following Lipinski's Rule of Five, AE-641/12753438 has 1 hydrogen bond donor(s) and 5 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 AE-641/12753438?
The CAS number of AE-641/12753438 is 5854-80-8.
What is the molecular formula of AE-641/12753438?
The molecular formula of AE-641/12753438 is C18H13NO4S2.
What is the molecular weight of AE-641/12753438?
The molecular weight of AE-641/12753438 is 371.03 g/mol.
Where can I buy AE-641/12753438?
You can request a quote for AE-641/12753438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/12753438?
Yes, KEHONG BIO provides custom synthesis services for AE-641/12753438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.