(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid
TL;DR: (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid (CAS 141595-76-8) is a chemical compound with molecular formula C13H24N2O3 and molecular weight 256.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid
Also Known As: N-[(1-perhydroazepinyl)carbonyl]-L-leucine, (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid, (R)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoic acid, (S)-2-(azepane-1-carboxamido)-4-methylpentanoic acid, 2-(azepane-1-carbonylamino)-4-methyl-pentanoic Acid
| Molecular Formula | C13H24N2O3 |
|---|---|
| Molecular Weight | 256.18 g/mol |
| LogP | 2.0713 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.17868 |
| Heavy Atoms | 18 |
| Complexity | 283.96094 |
Chemical Identifiers
| CAS Number | 141595-76-8 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)N1CCCCCC1 |
Product Overview
(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid (CAS 141595-76-8), with molecular formula C13H24N2O3 and molecular weight 256.18 g/mol. IUPAC: (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid.
Chemical Property Profile of (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid
Property Insights of (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid
The XLogP value of 2.0713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid. Following Lipinski's Rule of Five, (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid has 2 hydrogen bond donor(s) and 2 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 (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid?
The CAS number of (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid is 141595-76-8.
What is the molecular formula of (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid?
The molecular formula of (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid is C13H24N2O3.
What is the molecular weight of (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid?
The molecular weight of (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid is 256.18 g/mol.
Where can I buy (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid?
You can request a quote for (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.