ethyl (2S)-2-acetamidopent-4-ynoate
TL;DR: ethyl (2S)-2-acetamidopent-4-ynoate (CAS 23235-06-5) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-acetamidopent-4-ynoate
Also Known As: ethyl (2S)-2-acetamidopent-4-ynoate, [S,(-)]-2-Acetylamino-4-pentynoic acid ethyl ester, N-alpha-Acetyl-L-propargylglycine ethyl ester (Ac-L-Pra-OEt), 4-Pentynoic acid, 2-(acetylamino)-, ethyl ester, (S)- (9CI)
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 0.0775 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 229.50453 |
Chemical Identifiers
| CAS Number | 23235-06-5 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC#C)NC(=O)C |
Product Overview
ethyl (2S)-2-acetamidopent-4-ynoate (CAS 23235-06-5), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: ethyl (2S)-2-acetamidopent-4-ynoate.
Chemical Property Profile of ethyl (2S)-2-acetamidopent-4-ynoate
Property Insights of ethyl (2S)-2-acetamidopent-4-ynoate
The XLogP value of 0.0775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S)-2-acetamidopent-4-ynoate. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl (2S)-2-acetamidopent-4-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2S)-2-acetamidopent-4-ynoate has 1 hydrogen bond donor(s) and 3 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 (2S)-2-acetamidopent-4-ynoate?
The CAS number of ethyl (2S)-2-acetamidopent-4-ynoate is 23235-06-5.
What is the molecular formula of ethyl (2S)-2-acetamidopent-4-ynoate?
The molecular formula of ethyl (2S)-2-acetamidopent-4-ynoate is C9H13NO3.
What is the molecular weight of ethyl (2S)-2-acetamidopent-4-ynoate?
The molecular weight of ethyl (2S)-2-acetamidopent-4-ynoate is 183.09 g/mol.
Where can I buy ethyl (2S)-2-acetamidopent-4-ynoate?
You can request a quote for ethyl (2S)-2-acetamidopent-4-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2S)-2-acetamidopent-4-ynoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2S)-2-acetamidopent-4-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.