(3S)-1-Methyl-3-piperidinyl butyrate
TL;DR: (3S)-1-Methyl-3-piperidinyl butyrate (CAS 335162-97-5) is a chemical compound with molecular formula C10H19NO2 and molecular weight 185.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-1-methylpiperidin-3-yl] butanoate
Also Known As: (3S)-1-Methyl-3-piperidinyl butyrate, (3S)-1-Methylpiperidin-3-yl butanoate, (3S)-1-Methylpiperidine-3-ol butyrate, [(3R)-1-methyl-3-piperidyl] Butanoate, [(3S)-1-methylpiperidin-3-yl] butanoate
| Molecular Formula | C10H19NO2 |
|---|---|
| Molecular Weight | 185.14 g/mol |
| LogP | 1.4239 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.14159 |
| Heavy Atoms | 13 |
| Complexity | 170.30768 |
Chemical Identifiers
| CAS Number | 335162-97-5 |
|---|---|
| SMILES | CCCC(=O)O[C@H]1CCCN(C1)C |
Product Overview
(3S)-1-Methyl-3-piperidinyl butyrate (CAS 335162-97-5), with molecular formula C10H19NO2 and molecular weight 185.14 g/mol. IUPAC: [(3S)-1-methylpiperidin-3-yl] butanoate.
Chemical Property Profile of (3S)-1-Methyl-3-piperidinyl butyrate
Property Insights of (3S)-1-Methyl-3-piperidinyl butyrate
The XLogP value of 1.4239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-1-Methyl-3-piperidinyl butyrate. With a topological polar surface area (TPSA) of 29.54 Ų, (3S)-1-Methyl-3-piperidinyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-1-Methyl-3-piperidinyl butyrate has 0 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 (3S)-1-Methyl-3-piperidinyl butyrate?
The CAS number of (3S)-1-Methyl-3-piperidinyl butyrate is 335162-97-5.
What is the molecular formula of (3S)-1-Methyl-3-piperidinyl butyrate?
The molecular formula of (3S)-1-Methyl-3-piperidinyl butyrate is C10H19NO2.
What is the molecular weight of (3S)-1-Methyl-3-piperidinyl butyrate?
The molecular weight of (3S)-1-Methyl-3-piperidinyl butyrate is 185.14 g/mol.
Where can I buy (3S)-1-Methyl-3-piperidinyl butyrate?
You can request a quote for (3S)-1-Methyl-3-piperidinyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-1-Methyl-3-piperidinyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for (3S)-1-Methyl-3-piperidinyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.