Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester
TL;DR: Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester (CAS 87994-77-2) is a chemical compound with molecular formula C10H19NO3 and molecular weight 201.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetamido-4-methylpentanoate
Also Known As: ethyl 3-acetamido-4-methylpentanoate, Ethyl 3-acetamido-4-methyl-pentanoate, Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester, J2.450.210D, 3-(Acetylamino)-4-methylpentanoic acid ethyl ester
| Molecular Formula | C10H19NO3 |
|---|---|
| Molecular Weight | 201.14 g/mol |
| LogP | 1.1003 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.13649 |
| Heavy Atoms | 14 |
| Complexity | 201.5438 |
Chemical Identifiers
| CAS Number | 87994-77-2 |
|---|---|
| SMILES | CCOC(=O)CC(C(C)C)NC(=O)C |
Product Overview
Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester (CAS 87994-77-2), with molecular formula C10H19NO3 and molecular weight 201.14 g/mol. IUPAC: ethyl 3-acetamido-4-methylpentanoate.
Chemical Property Profile of Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester
Property Insights of Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester
The XLogP value of 1.1003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester 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 Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester?
The CAS number of Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester is 87994-77-2.
What is the molecular formula of Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester?
The molecular formula of Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester is C10H19NO3.
What is the molecular weight of Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester?
The molecular weight of Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester is 201.14 g/mol.
Where can I buy Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester?
You can request a quote for Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 3-(acetylamino)-4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.