benzyl (2S,3S)-2-amino-3-methylpentanoate
TL;DR: benzyl (2S,3S)-2-amino-3-methylpentanoate (CAS 16652-75-8) 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 (2S,3S)-2-amino-3-methylpentanoate
Also Known As: H-Ile-OBzl, isoleucine benzyl ester, L-isoleucine benzylester, L-isoleucine benzyl ester, L-Isoleucine, phenylmethyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.1032 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 323.9643 |
Chemical Identifiers
| CAS Number | 16652-75-8 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)OCC1=CC=CC=C1)N |
Product Overview
benzyl (2S,3S)-2-amino-3-methylpentanoate (CAS 16652-75-8), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: benzyl (2S,3S)-2-amino-3-methylpentanoate.
Chemical Property Profile of benzyl (2S,3S)-2-amino-3-methylpentanoate
Property Insights of benzyl (2S,3S)-2-amino-3-methylpentanoate
The XLogP value of 2.1032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl (2S,3S)-2-amino-3-methylpentanoate. With a topological polar surface area (TPSA) of 52.32 Ų, benzyl (2S,3S)-2-amino-3-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl (2S,3S)-2-amino-3-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 (2S,3S)-2-amino-3-methylpentanoate?
The CAS number of benzyl (2S,3S)-2-amino-3-methylpentanoate is 16652-75-8.
What is the molecular formula of benzyl (2S,3S)-2-amino-3-methylpentanoate?
The molecular formula of benzyl (2S,3S)-2-amino-3-methylpentanoate is C13H19NO2.
What is the molecular weight of benzyl (2S,3S)-2-amino-3-methylpentanoate?
The molecular weight of benzyl (2S,3S)-2-amino-3-methylpentanoate is 221.14 g/mol.
Where can I buy benzyl (2S,3S)-2-amino-3-methylpentanoate?
You can request a quote for benzyl (2S,3S)-2-amino-3-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl (2S,3S)-2-amino-3-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl (2S,3S)-2-amino-3-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.