Ethyl N-acetylmethioninate
TL;DR: Ethyl N-acetylmethioninate (CAS 33280-93-2) is a chemical compound with molecular formula C9H17NO3S and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-4-methylsulfanylbutanoate
Also Known As: Ethyl 2-acetamido-4-(methylthio)butanoate, Ethyl N-acetylmethioninate, Ethyl acetylmethioninate, Ethyl 2-(acetylamino)-4-(methylsulfanyl)butanoate, ethyl 2-acetamido-4-methylsulfanylbutanoate
| Molecular Formula | C9H17NO3S |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 219.09291 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 33280-93-2 |
|---|---|
| SMILES | CCOC(=O)C(CCSC)NC(=O)C |
| InChIKey | HWRSILOQIXCGQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N-acetylmethioninate (CAS 33280-93-2), with molecular formula C9H17NO3S and molecular weight 219.09 g/mol. IUPAC: ethyl 2-acetamido-4-methylsulfanylbutanoate.
Chemical Property Profile of Ethyl N-acetylmethioninate
Property Insights of Ethyl N-acetylmethioninate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-acetylmethioninate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-acetylmethioninate. Following Lipinski's Rule of Five, Ethyl N-acetylmethioninate 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 N-acetylmethioninate?
The CAS number of Ethyl N-acetylmethioninate is 33280-93-2.
What is the molecular formula of Ethyl N-acetylmethioninate?
The molecular formula of Ethyl N-acetylmethioninate is C9H17NO3S.
What is the molecular weight of Ethyl N-acetylmethioninate?
The molecular weight of Ethyl N-acetylmethioninate is 219.09 g/mol.
Where can I buy Ethyl N-acetylmethioninate?
You can request a quote for Ethyl N-acetylmethioninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-acetylmethioninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-acetylmethioninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.