AE-641/11948053
TL;DR: AE-641/11948053 (CAS 301308-59-8) is a chemical compound with molecular formula C18H11BrN2O4S2 and molecular weight 461.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[3-[(4-bromobenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Also Known As: AE-641/11948053, (Z)-4-((3-(4-bromobenzamido)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid, 4-[(Z)-[3-[(4-bromobenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid, 4-{[(5Z)-3-(4-BROMOBENZAMIDO)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOIC ACID, 4-({3-[(4-bromobenzoyl)amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)benzoic acid
| Molecular Formula | C18H11BrN2O4S2 |
|---|---|
| Molecular Weight | 461.93 g/mol |
| LogP | 3.6935 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.93436 |
| Heavy Atoms | 27 |
| Complexity | 971.8611 |
Chemical Identifiers
| CAS Number | 301308-59-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O |
Product Overview
AE-641/11948053 (CAS 301308-59-8), with molecular formula C18H11BrN2O4S2 and molecular weight 461.93 g/mol. IUPAC: 4-[(Z)-[3-[(4-bromobenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid.
Chemical Property Profile of AE-641/11948053
Property Insights of AE-641/11948053
The XLogP value of 3.6935 indicates that AE-641/11948053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/11948053. Following Lipinski's Rule of Five, AE-641/11948053 has 2 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-641/11948053?
The CAS number of AE-641/11948053 is 301308-59-8.
What is the molecular formula of AE-641/11948053?
The molecular formula of AE-641/11948053 is C18H11BrN2O4S2.
What is the molecular weight of AE-641/11948053?
The molecular weight of AE-641/11948053 is 461.93 g/mol.
Where can I buy AE-641/11948053?
You can request a quote for AE-641/11948053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/11948053?
Yes, KEHONG BIO provides custom synthesis services for AE-641/11948053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.