Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-
TL;DR: Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)- (CAS 64505-10-8) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-isocyanato-4-methylpentanoate
Also Known As: N-carbonyl-L-leucine ethyl ester, N-carbonyl l-leucine ethyl ester, Ethyl 2-Isocyanato-4-Methylvalerate, Ethyl (S)-2-isocyanato-4-methylpentanoate, ethyl (2S)-2-isocyanato-4-methylpentanoate
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 206.90535 |
Chemical Identifiers
| CAS Number | 64505-10-8 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC(C)C)N=C=O |
Product Overview
Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)- (CAS 64505-10-8), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: ethyl (2S)-2-isocyanato-4-methylpentanoate.
Chemical Property Profile of Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-
Property Insights of Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-. With a topological polar surface area (TPSA) of 55.73 Ų, Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 2-isocyanato-4-methyl-, 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 Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-?
The CAS number of Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)- is 64505-10-8.
What is the molecular formula of Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-?
The molecular formula of Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)- is C9H15NO3.
What is the molecular weight of Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-?
The molecular weight of Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)- is 185.11 g/mol.
Where can I buy Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-?
You can request a quote for Pentanoic acid, 2-isocyanato-4-methyl-, 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 Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)-?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 2-isocyanato-4-methyl-, ethyl ester, (2S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.