n-Benzylleucine
TL;DR: n-Benzylleucine (CAS 4091-88-7) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4-methylpentanoic acid
Also Known As: n-benzylleucine, Benzylleucine, N-Benzyl-L-leucine, D-Leucine, N-(phenylmethyl)-, 2-(benzylamino)-4-methylpentanoic acid
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 4091-88-7 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)NCC1=CC=CC=C1 |
| InChIKey | ZJOWTIPPMQBTTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Benzylleucine (CAS 4091-88-7), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 2-(benzylamino)-4-methylpentanoic acid.
Chemical Property Profile of n-Benzylleucine
Property Insights of n-Benzylleucine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Benzylleucine. With a topological polar surface area (TPSA) of 49.3 Ų, n-Benzylleucine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Benzylleucine has 2 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-Benzylleucine?
The CAS number of n-Benzylleucine is 4091-88-7.
What is the molecular formula of n-Benzylleucine?
The molecular formula of n-Benzylleucine is C13H19NO2.
What is the molecular weight of n-Benzylleucine?
The molecular weight of n-Benzylleucine is 221.14 g/mol.
Where can I buy n-Benzylleucine?
You can request a quote for n-Benzylleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Benzylleucine?
Yes, KEHONG BIO provides custom synthesis services for n-Benzylleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.