Benzyl 2-amino-4-methylpentanoate
TL;DR: Benzyl 2-amino-4-methylpentanoate (CAS 80089-22-1) 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.
benzyl 2-amino-4-methylpentanoate
Also Known As: benzyl leucinate, Benzyl L-leucinate, Benzyl 2-amino-4-methylpentanoate, DL-Leucine, benzyl ester, benzyl 2-amino-4-methyl-pentanoate
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 80089-22-1 |
|---|---|
| SMILES | CC(C)CC(C(=O)OCC1=CC=CC=C1)N |
| InChIKey | MBRRYUQWSOODEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-amino-4-methylpentanoate (CAS 80089-22-1), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: benzyl 2-amino-4-methylpentanoate.
Chemical Property Profile of Benzyl 2-amino-4-methylpentanoate
Property Insights of Benzyl 2-amino-4-methylpentanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-amino-4-methylpentanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Benzyl 2-amino-4-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-amino-4-methylpentanoate 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 Benzyl 2-amino-4-methylpentanoate?
The CAS number of Benzyl 2-amino-4-methylpentanoate is 80089-22-1.
What is the molecular formula of Benzyl 2-amino-4-methylpentanoate?
The molecular formula of Benzyl 2-amino-4-methylpentanoate is C13H19NO2.
What is the molecular weight of Benzyl 2-amino-4-methylpentanoate?
The molecular weight of Benzyl 2-amino-4-methylpentanoate is 221.14 g/mol.
Where can I buy Benzyl 2-amino-4-methylpentanoate?
You can request a quote for Benzyl 2-amino-4-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-amino-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-amino-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.