Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate
TL;DR: Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate (CAS 65134-92-1) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate
Also Known As: ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate, L-Aspartic acid,N-(3-mercapto-1-oxopropyl), ETHYL 4-ACETAMIDO-3-[(METHYLSULFANYL)METHYL]BENZOATE
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 65134-92-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)CSC |
| InChIKey | OOGRJJUYSISAKR-UHFFFAOYSA-N |
Product Overview
Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate (CAS 65134-92-1), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate.
Chemical Property Profile of Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate
Property Insights of Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate 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 Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate?
The CAS number of Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate is 65134-92-1.
What is the molecular formula of Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate?
The molecular formula of Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate is C13H17NO3S.
What is the molecular weight of Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate?
The molecular weight of Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate is 267.09 g/mol.
Where can I buy Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate?
You can request a quote for Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetamido-3-(methylsulfanylmethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.