benzyl (2S)-4-methyl-2-(methylamino)pentanoate
TL;DR: benzyl (2S)-4-methyl-2-(methylamino)pentanoate (CAS 42807-66-9) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-4-methyl-2-(methylamino)pentanoate
Also Known As: Benzyl methyl-l-leucinate, H-N-Me-Leu-Obzl.TosOH, N-Methyl-(S)-leucin-benzylester, n-methyl-l-leucine benzyl ester, benzyl (2S)-4-methyl-2-(methylamino)pentanoate
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 2.3639 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 335.33527 |
Chemical Identifiers
| CAS Number | 42807-66-9 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC |
Product Overview
benzyl (2S)-4-methyl-2-(methylamino)pentanoate (CAS 42807-66-9), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: benzyl (2S)-4-methyl-2-(methylamino)pentanoate.
Chemical Property Profile of benzyl (2S)-4-methyl-2-(methylamino)pentanoate
Property Insights of benzyl (2S)-4-methyl-2-(methylamino)pentanoate
The XLogP value of 2.3639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl (2S)-4-methyl-2-(methylamino)pentanoate. With a topological polar surface area (TPSA) of 38.33 Ų, benzyl (2S)-4-methyl-2-(methylamino)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl (2S)-4-methyl-2-(methylamino)pentanoate 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)-4-methyl-2-(methylamino)pentanoate?
The CAS number of benzyl (2S)-4-methyl-2-(methylamino)pentanoate is 42807-66-9.
What is the molecular formula of benzyl (2S)-4-methyl-2-(methylamino)pentanoate?
The molecular formula of benzyl (2S)-4-methyl-2-(methylamino)pentanoate is C14H21NO2.
What is the molecular weight of benzyl (2S)-4-methyl-2-(methylamino)pentanoate?
The molecular weight of benzyl (2S)-4-methyl-2-(methylamino)pentanoate is 235.16 g/mol.
Where can I buy benzyl (2S)-4-methyl-2-(methylamino)pentanoate?
You can request a quote for benzyl (2S)-4-methyl-2-(methylamino)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl (2S)-4-methyl-2-(methylamino)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for benzyl (2S)-4-methyl-2-(methylamino)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.