AT-057/41290483
TL;DR: AT-057/41290483 (CAS 1008003-67-5) is a chemical compound with molecular formula C18H15ClN2O4S and molecular weight 390.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[5-(4-chloroanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
Also Known As: AT-057/41290483, methyl 3-({5-[(4-chlorophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate, methyl 3-[[5-(4-chloroanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate, methyl 3-((5-((4-chlorophenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoate, methyl 3-({5-[(4-chlorophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)ben zoate
| Molecular Formula | C18H15ClN2O4S |
|---|---|
| Molecular Weight | 390.04 g/mol |
| LogP | 3.7602 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0441 |
| Heavy Atoms | 26 |
| Complexity | 856.52454 |
Chemical Identifiers
| CAS Number | 1008003-67-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CN2C(=O)C(SC2=O)NC3=CC=C(C=C3)Cl |
Product Overview
AT-057/41290483 (CAS 1008003-67-5), with molecular formula C18H15ClN2O4S and molecular weight 390.04 g/mol. IUPAC: methyl 3-[[5-(4-chloroanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate.
Chemical Property Profile of AT-057/41290483
Property Insights of AT-057/41290483
The XLogP value of 3.7602 indicates that AT-057/41290483 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/41290483. Following Lipinski's Rule of Five, AT-057/41290483 has 1 hydrogen bond donor(s) and 6 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 AT-057/41290483?
The CAS number of AT-057/41290483 is 1008003-67-5.
What is the molecular formula of AT-057/41290483?
The molecular formula of AT-057/41290483 is C18H15ClN2O4S.
What is the molecular weight of AT-057/41290483?
The molecular weight of AT-057/41290483 is 390.04 g/mol.
Where can I buy AT-057/41290483?
You can request a quote for AT-057/41290483 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/41290483?
Yes, KEHONG BIO provides custom synthesis services for AT-057/41290483 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.