benzyl (2S)-2-amino-3-methylbutanoate
TL;DR: benzyl (2S)-2-amino-3-methylbutanoate (CAS 16652-76-9) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-2-amino-3-methylbutanoate
Also Known As: Benzyl L-Valinate, L-VALINE BENZYL ESTER, benzyl valinate, ValOBzl, benzyl (2S)-2-amino-3-methylbutanoate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.7131 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 308.658 |
Chemical Identifiers
| CAS Number | 16652-76-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)N |
Product Overview
benzyl (2S)-2-amino-3-methylbutanoate (CAS 16652-76-9), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: benzyl (2S)-2-amino-3-methylbutanoate.
Chemical Property Profile of benzyl (2S)-2-amino-3-methylbutanoate
Property Insights of benzyl (2S)-2-amino-3-methylbutanoate
The XLogP value of 1.7131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl (2S)-2-amino-3-methylbutanoate. With a topological polar surface area (TPSA) of 52.32 Ų, benzyl (2S)-2-amino-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl (2S)-2-amino-3-methylbutanoate 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)-2-amino-3-methylbutanoate?
The CAS number of benzyl (2S)-2-amino-3-methylbutanoate is 16652-76-9.
What is the molecular formula of benzyl (2S)-2-amino-3-methylbutanoate?
The molecular formula of benzyl (2S)-2-amino-3-methylbutanoate is C12H17NO2.
What is the molecular weight of benzyl (2S)-2-amino-3-methylbutanoate?
The molecular weight of benzyl (2S)-2-amino-3-methylbutanoate is 207.13 g/mol.
Where can I buy benzyl (2S)-2-amino-3-methylbutanoate?
You can request a quote for benzyl (2S)-2-amino-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl (2S)-2-amino-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl (2S)-2-amino-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.