ethyl (2S,3R)-2-amino-3-methylpentanoate
TL;DR: ethyl (2S,3R)-2-amino-3-methylpentanoate (CAS 44975-82-8) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,3R)-2-amino-3-methylpentanoate
Also Known As: Ethyl L-alloisoleucinate, ethyl (2S,3R)-2-amino-3-methylpentanoate, J1.114.644I, (2S,3R)-2-Amino-3-methylvaleric acid ethyl ester
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 0.9229 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 125.26047 |
Chemical Identifiers
| CAS Number | 44975-82-8 |
|---|---|
| SMILES | CC[C@@H](C)[C@@H](C(=O)OCC)N |
Product Overview
ethyl (2S,3R)-2-amino-3-methylpentanoate (CAS 44975-82-8), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: ethyl (2S,3R)-2-amino-3-methylpentanoate.
Chemical Property Profile of ethyl (2S,3R)-2-amino-3-methylpentanoate
Property Insights of ethyl (2S,3R)-2-amino-3-methylpentanoate
The XLogP value of 0.9229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S,3R)-2-amino-3-methylpentanoate. With a topological polar surface area (TPSA) of 52.32 Ų, ethyl (2S,3R)-2-amino-3-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2S,3R)-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 ethyl (2S,3R)-2-amino-3-methylpentanoate?
The CAS number of ethyl (2S,3R)-2-amino-3-methylpentanoate is 44975-82-8.
What is the molecular formula of ethyl (2S,3R)-2-amino-3-methylpentanoate?
The molecular formula of ethyl (2S,3R)-2-amino-3-methylpentanoate is C8H17NO2.
What is the molecular weight of ethyl (2S,3R)-2-amino-3-methylpentanoate?
The molecular weight of ethyl (2S,3R)-2-amino-3-methylpentanoate is 159.13 g/mol.
Where can I buy ethyl (2S,3R)-2-amino-3-methylpentanoate?
You can request a quote for ethyl (2S,3R)-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 ethyl (2S,3R)-2-amino-3-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2S,3R)-2-amino-3-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.