AT-057/41290446
TL;DR: AT-057/41290446 (CAS 497082-40-3) is a chemical compound with molecular formula C18H14BrN3O3S2 and molecular weight 462.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromophenyl)carbamothioyl]-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
Also Known As: AT-057/41290446, N-[(4-bromophenyl)carbamothioyl]-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide, N-((4-bromophenyl)carbamothioyl)-2-(2,4-dioxo-3-phenylthiazolidin-5-yl)acetamide, N-(4-bromophenyl)-N'-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetyl]thiourea, N-[(4-bromophenyl)thiocarbamoyl]-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
| Molecular Formula | C18H14BrN3O3S2 |
|---|---|
| Molecular Weight | 462.97 g/mol |
| LogP | 3.9208 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.966 |
| Heavy Atoms | 27 |
| Complexity | 890.4847 |
Chemical Identifiers
| CAS Number | 497082-40-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(SC2=O)CC(=O)NC(=S)NC3=CC=C(C=C3)Br |
Product Overview
AT-057/41290446 (CAS 497082-40-3), with molecular formula C18H14BrN3O3S2 and molecular weight 462.97 g/mol. IUPAC: N-[(4-bromophenyl)carbamothioyl]-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide.
Chemical Property Profile of AT-057/41290446
Property Insights of AT-057/41290446
The XLogP value of 3.9208 indicates that AT-057/41290446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/41290446. Following Lipinski's Rule of Five, AT-057/41290446 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 AT-057/41290446?
The CAS number of AT-057/41290446 is 497082-40-3.
What is the molecular formula of AT-057/41290446?
The molecular formula of AT-057/41290446 is C18H14BrN3O3S2.
What is the molecular weight of AT-057/41290446?
The molecular weight of AT-057/41290446 is 462.97 g/mol.
Where can I buy AT-057/41290446?
You can request a quote for AT-057/41290446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/41290446?
Yes, KEHONG BIO provides custom synthesis services for AT-057/41290446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.