Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-
TL;DR: Propanoic acid, 2-isocyanato-, ethyl ester, (2S)- (CAS 33280-95-4) is a chemical compound with molecular formula C6H9NO3 and molecular weight 143.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-isocyanatopropanoate
Also Known As: ethyl (2S)-2-isocyanatopropanoate, Ethyl 2-isocyanatopropanoate, (2S)-2-Ethyl Ester-isocyanato-propanoic Acid, Ethyl N-(oxomethylidene)-L-alaninate, Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-
| Molecular Formula | C6H9NO3 |
|---|---|
| Molecular Weight | 143.06 g/mol |
| LogP | 0.2738 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.05824 |
| Heavy Atoms | 10 |
| Complexity | 160.37587 |
Chemical Identifiers
| CAS Number | 33280-95-4 |
|---|---|
| SMILES | CCOC(=O)[C@H](C)N=C=O |
Product Overview
Propanoic acid, 2-isocyanato-, ethyl ester, (2S)- (CAS 33280-95-4), with molecular formula C6H9NO3 and molecular weight 143.06 g/mol. IUPAC: ethyl (2S)-2-isocyanatopropanoate.
Chemical Property Profile of Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-
Property Insights of Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-
The XLogP value of 0.2738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-. With a topological polar surface area (TPSA) of 55.73 Ų, Propanoic acid, 2-isocyanato-, ethyl ester, (2S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-isocyanato-, ethyl ester, (2S)- has 0 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 Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-?
The CAS number of Propanoic acid, 2-isocyanato-, ethyl ester, (2S)- is 33280-95-4.
What is the molecular formula of Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-?
The molecular formula of Propanoic acid, 2-isocyanato-, ethyl ester, (2S)- is C6H9NO3.
What is the molecular weight of Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-?
The molecular weight of Propanoic acid, 2-isocyanato-, ethyl ester, (2S)- is 143.06 g/mol.
Where can I buy Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-?
You can request a quote for Propanoic acid, 2-isocyanato-, ethyl ester, (2S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-isocyanato-, ethyl ester, (2S)-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-isocyanato-, ethyl ester, (2S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.