N-Benzoylleucine methyl ester
TL;DR: N-Benzoylleucine methyl ester (CAS 38449-08-0) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzamido-4-methylpentanoate
Also Known As: N-Benzoylleucine methyl ester, Methyl N-benzoylleucinate, MEthyl benzoyl-DL-leucinate, n-benzoyl-l-leucine methyl ester, methyl N-(phenylcarbonyl)leucinate
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 38449-08-0 |
|---|---|
| SMILES | CC(C)CC(C(=O)OC)NC(=O)C1=CC=CC=C1 |
| InChIKey | BWMCGUZUOFOKJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzoylleucine methyl ester (CAS 38449-08-0), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: methyl 2-benzamido-4-methylpentanoate.
Chemical Property Profile of N-Benzoylleucine methyl ester
Property Insights of N-Benzoylleucine methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzoylleucine methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, N-Benzoylleucine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzoylleucine 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 N-Benzoylleucine methyl ester?
The CAS number of N-Benzoylleucine methyl ester is 38449-08-0.
What is the molecular formula of N-Benzoylleucine methyl ester?
The molecular formula of N-Benzoylleucine methyl ester is C14H19NO3.
What is the molecular weight of N-Benzoylleucine methyl ester?
The molecular weight of N-Benzoylleucine methyl ester is 249.14 g/mol.
Where can I buy N-Benzoylleucine methyl ester?
You can request a quote for N-Benzoylleucine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzoylleucine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Benzoylleucine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.