A3411/0144699
TL;DR: A3411/0144699 (CAS 1024017-51-3) is a chemical compound with molecular formula C20H17ClFN3O4S and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-chlorophenyl)-5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
Also Known As: A3411/0144699, {3-(4-Chloro-phenyl)-5-[(4-fluoro-phenylcarbamoyl)-methyl]-4-oxo-2-thioxo-imidazolidin-1-yl}-acetic acid methyl ester, methyl [3-(4-chlorophenyl)-5-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-4-oxo-2-thioxoimidazolidin-1-yl]acetate, methyl 2-(3-(4-chlorophenyl)-5-(2-((4-fluorophenyl)amino)-2-oxoethyl)-4-oxo-2-thioxoimidazolidin-1-yl)acetate, methyl 2-[3-(4-chlorophenyl)-5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
| Molecular Formula | C20H17ClFN3O4S |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 2.983 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.06122 |
| Heavy Atoms | 30 |
| Complexity | 984.551 |
Chemical Identifiers
| CAS Number | 1024017-51-3 |
|---|---|
| SMILES | COC(=O)CN1C(C(=O)N(C1=S)C2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)F |
Product Overview
A3411/0144699 (CAS 1024017-51-3), with molecular formula C20H17ClFN3O4S and molecular weight 449.06 g/mol. IUPAC: methyl 2-[3-(4-chlorophenyl)-5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate.
Chemical Property Profile of A3411/0144699
Property Insights of A3411/0144699
The XLogP value of 2.983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3411/0144699. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3411/0144699. Following Lipinski's Rule of Five, A3411/0144699 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 A3411/0144699?
The CAS number of A3411/0144699 is 1024017-51-3.
What is the molecular formula of A3411/0144699?
The molecular formula of A3411/0144699 is C20H17ClFN3O4S.
What is the molecular weight of A3411/0144699?
The molecular weight of A3411/0144699 is 449.06 g/mol.
Where can I buy A3411/0144699?
You can request a quote for A3411/0144699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3411/0144699?
Yes, KEHONG BIO provides custom synthesis services for A3411/0144699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.