Acetyl-L-isoleucine methyl ester
TL;DR: Acetyl-L-isoleucine methyl ester (CAS 2256-76-0) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3-methylpentanoate
Also Known As: Acetyl-L-isoleucine methyl ester, methyl 2-acetamido-3-methylpentanoate, methyl 2-acetamido-3-methyl-pentanoate, DL-Isoleucine, N-acetyl-, methyl ester, methyl (2S,3S)-2-acetamido-3-methylpentanoate
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 2256-76-0 |
|---|---|
| SMILES | CCC(C)C(C(=O)OC)NC(=O)C |
| InChIKey | JPQWQTHLAKUOOA-UHFFFAOYSA-N |
Product Overview
Acetyl-L-isoleucine methyl ester (CAS 2256-76-0), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: methyl 2-acetamido-3-methylpentanoate.
Chemical Property Profile of Acetyl-L-isoleucine methyl ester
Property Insights of Acetyl-L-isoleucine methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl-L-isoleucine methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Acetyl-L-isoleucine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl-L-isoleucine methyl 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 Acetyl-L-isoleucine methyl ester?
The CAS number of Acetyl-L-isoleucine methyl ester is 2256-76-0.
What is the molecular formula of Acetyl-L-isoleucine methyl ester?
The molecular formula of Acetyl-L-isoleucine methyl ester is C9H17NO3.
What is the molecular weight of Acetyl-L-isoleucine methyl ester?
The molecular weight of Acetyl-L-isoleucine methyl ester is 187.12 g/mol.
Where can I buy Acetyl-L-isoleucine methyl ester?
You can request a quote for Acetyl-L-isoleucine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-L-isoleucine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-L-isoleucine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.