AT-057/40872479
TL;DR: AT-057/40872479 (CAS 496798-22-2) is a chemical compound with molecular formula C17H13ClN4O2S and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide
Also Known As: AT-057/40872479, N-[(E)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide, N'-[(E)-(3-benzyl-4-chloro-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)methylidene]pyridine-4-carbohydrazide, (E)-N'-((3-benzyl-4-chloro-2-oxo-2,3-dihydrothiazol-5-yl)methylene)isonicotinohydrazide, N'-[(3-benzyl-4-chloro-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)methylene]isonicotinohydrazide
| Molecular Formula | C17H13ClN4O2S |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 2.7704 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.04477 |
| Heavy Atoms | 25 |
| Complexity | 951.7841 |
Chemical Identifiers
| CAS Number | 496798-22-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(SC2=O)/C=N/NC(=O)C3=CC=NC=C3)Cl |
Product Overview
AT-057/40872479 (CAS 496798-22-2), with molecular formula C17H13ClN4O2S and molecular weight 372.04 g/mol. IUPAC: N-[(E)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylideneamino]pyridine-4-carboxamide.
Chemical Property Profile of AT-057/40872479
Property Insights of AT-057/40872479
The XLogP value of 2.7704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AT-057/40872479. The TPSA of 76.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/40872479. Following Lipinski's Rule of Five, AT-057/40872479 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 AT-057/40872479?
The CAS number of AT-057/40872479 is 496798-22-2.
What is the molecular formula of AT-057/40872479?
The molecular formula of AT-057/40872479 is C17H13ClN4O2S.
What is the molecular weight of AT-057/40872479?
The molecular weight of AT-057/40872479 is 372.04 g/mol.
Where can I buy AT-057/40872479?
You can request a quote for AT-057/40872479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/40872479?
Yes, KEHONG BIO provides custom synthesis services for AT-057/40872479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.