A2978/0125554
TL;DR: A2978/0125554 (CAS 956960-44-4) is a chemical compound with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(3-chloroanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
Also Known As: A2978/0125554, N-(5-(2-((3-chlorophenyl)amino)-2-oxoethyl)-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl)benzamide, N-(5-{[(3-CHLOROPHENYL)CARBAMOYL]METHYL}-3-METHYL-4-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL)BENZAMIDE, N-(5-{2-[(3-chlorophenyl)amino]-2-oxoethyl}-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl)benzamide, N-[5-[2-(3-chloroanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
| Molecular Formula | C19H17ClN4O3S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 2.4411 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.07098 |
| Heavy Atoms | 28 |
| Complexity | 937.7858 |
Chemical Identifiers
| CAS Number | 956960-44-4 |
|---|---|
| SMILES | CN1C(=O)C(N(C1=S)NC(=O)C2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
A2978/0125554 (CAS 956960-44-4), with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol. IUPAC: N-[5-[2-(3-chloroanilino)-2-oxoethyl]-3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide.
Chemical Property Profile of A2978/0125554
Property Insights of A2978/0125554
The XLogP value of 2.4411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2978/0125554. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for A2978/0125554. Following Lipinski's Rule of Five, A2978/0125554 has 2 hydrogen bond donor(s) and 4 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 A2978/0125554?
The CAS number of A2978/0125554 is 956960-44-4.
What is the molecular formula of A2978/0125554?
The molecular formula of A2978/0125554 is C19H17ClN4O3S.
What is the molecular weight of A2978/0125554?
The molecular weight of A2978/0125554 is 416.07 g/mol.
Where can I buy A2978/0125554?
You can request a quote for A2978/0125554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2978/0125554?
Yes, KEHONG BIO provides custom synthesis services for A2978/0125554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.