methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate
TL;DR: methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate (CAS 3339-43-3) 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.
methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate
Also Known As: N-methylisoleucine methyl ester, methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate, Methyl (2S,3S)-3-methyl-2-methylamino-pentanoate, (2S,3S)-Methyl 3-methyl-2-(methylamino)pentanoate hydrochloride
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 0.7935 |
| Topological Polar Surface Area | 38.33 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 | 3339-43-3 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)OC)NC |
Product Overview
methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate (CAS 3339-43-3), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate.
Chemical Property Profile of methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate
Property Insights of methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate
The XLogP value of 0.7935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate. With a topological polar surface area (TPSA) of 38.33 Ų, methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S,3S)-3-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 methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate?
The CAS number of methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate is 3339-43-3.
What is the molecular formula of methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate?
The molecular formula of methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate is C8H17NO2.
What is the molecular weight of methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate?
The molecular weight of methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate is 159.13 g/mol.
Where can I buy methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate?
You can request a quote for methyl (2S,3S)-3-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 methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.