C21H20ClN3O5S
TL;DR: C21H20ClN3O5S (CAS 1024014-15-0) is a chemical compound with molecular formula C21H20ClN3O5S and molecular weight 461.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
Also Known As: methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-3-(4-methoxyphenyl)-4-oxo-2-thioxoimidazolidin-1-yl]acetate, methyl 2-(5-(2-((4-chlorophenyl)amino)-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-thioxoimidazolidin-1-yl)acetate, METHYL 2-(5-{[(4-CHLOROPHENYL)CARBAMOYL]METHYL}-3-(4-METHOXYPHENYL)-4-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL)ACETATE, methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
| Molecular Formula | C21H20ClN3O5S |
|---|---|
| Molecular Weight | 461.08 g/mol |
| LogP | 2.8525 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.0812 |
| Heavy Atoms | 31 |
| Complexity | 997.0797 |
Chemical Identifiers
| CAS Number | 1024014-15-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC(=O)OC)CC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
C21H20ClN3O5S (CAS 1024014-15-0), with molecular formula C21H20ClN3O5S and molecular weight 461.08 g/mol. IUPAC: methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate.
Chemical Property Profile of C21H20ClN3O5S
Property Insights of C21H20ClN3O5S
The XLogP value of 2.8525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H20ClN3O5S. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H20ClN3O5S. Following Lipinski's Rule of Five, C21H20ClN3O5S 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 C21H20ClN3O5S?
The CAS number of C21H20ClN3O5S is 1024014-15-0.
What is the molecular formula of C21H20ClN3O5S?
The molecular formula of C21H20ClN3O5S is C21H20ClN3O5S.
What is the molecular weight of C21H20ClN3O5S?
The molecular weight of C21H20ClN3O5S is 461.08 g/mol.
Where can I buy C21H20ClN3O5S?
You can request a quote for C21H20ClN3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H20ClN3O5S?
Yes, KEHONG BIO provides custom synthesis services for C21H20ClN3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.