(S)-Allyl 2-amino-4-methylpentanoate
TL;DR: (S)-Allyl 2-amino-4-methylpentanoate (CAS 45012-62-2) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl (2S)-2-amino-4-methylpentanoate
Also Known As: L-Leucine allyl ester, allyl L-leucinate, leucine allyl ester, H-Leu-OAll, (S)-Allyl 2-amino-4-methylpentanoate
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.089 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 154.60753 |
Chemical Identifiers
| CAS Number | 45012-62-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)OCC=C)N |
Product Overview
(S)-Allyl 2-amino-4-methylpentanoate (CAS 45012-62-2), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: prop-2-enyl (2S)-2-amino-4-methylpentanoate.
Chemical Property Profile of (S)-Allyl 2-amino-4-methylpentanoate
Property Insights of (S)-Allyl 2-amino-4-methylpentanoate
The XLogP value of 1.089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Allyl 2-amino-4-methylpentanoate. With a topological polar surface area (TPSA) of 52.32 Ų, (S)-Allyl 2-amino-4-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Allyl 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 (S)-Allyl 2-amino-4-methylpentanoate?
The CAS number of (S)-Allyl 2-amino-4-methylpentanoate is 45012-62-2.
What is the molecular formula of (S)-Allyl 2-amino-4-methylpentanoate?
The molecular formula of (S)-Allyl 2-amino-4-methylpentanoate is C9H17NO2.
What is the molecular weight of (S)-Allyl 2-amino-4-methylpentanoate?
The molecular weight of (S)-Allyl 2-amino-4-methylpentanoate is 171.13 g/mol.
Where can I buy (S)-Allyl 2-amino-4-methylpentanoate?
You can request a quote for (S)-Allyl 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 (S)-Allyl 2-amino-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Allyl 2-amino-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.