![Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate structure](/static/products/7861/78614-22-9.webp)
Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate
TL;DR: Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate (CAS 78614-22-9) is a chemical compound with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate
Also Known As: methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate, METHYL 3-{[(4-CHLOROPHENYL)CARBAMOYL]SULFANYL}PROPANOATE
| Molecular Formula | C11H12ClNO3S |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.02264 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 78614-22-9 |
|---|---|
| SMILES | COC(=O)CCSC(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | RICLDJBYCVVATK-UHFFFAOYSA-N |
Product Overview
Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate (CAS 78614-22-9), with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol. IUPAC: methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate.
Chemical Property Profile of Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate
Property Insights of Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate. Following Lipinski's Rule of Five, Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate has 1 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 Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate?
The CAS number of Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate is 78614-22-9.
What is the molecular formula of Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate?
The molecular formula of Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate is C11H12ClNO3S.
What is the molecular weight of Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate?
The molecular weight of Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate is 273.02 g/mol.
Where can I buy Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate?
You can request a quote for Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(4-chlorophenyl)carbamoylsulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.