sec-Butyl nicotinate
TL;DR: sec-Butyl nicotinate (CAS 102014-92-6) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl pyridine-3-carboxylate
Also Known As: sec-Butyl nicotinate, Nicotinic acid sec-butyl ester, Butan-2-yl Pyridine-3-carboxylate, 3-Pyridinecarboxylic acid 1-methylpropyl ester
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 2.0369 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 271.51306 |
Chemical Identifiers
| CAS Number | 102014-92-6 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=CN=CC=C1 |
Product Overview
sec-Butyl nicotinate (CAS 102014-92-6), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: butan-2-yl pyridine-3-carboxylate.
Chemical Property Profile of sec-Butyl nicotinate
Property Insights of sec-Butyl nicotinate
The XLogP value of 2.0369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sec-Butyl nicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, sec-Butyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Butyl nicotinate 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 sec-Butyl nicotinate?
The CAS number of sec-Butyl nicotinate is 102014-92-6.
What is the molecular formula of sec-Butyl nicotinate?
The molecular formula of sec-Butyl nicotinate is C10H13NO2.
What is the molecular weight of sec-Butyl nicotinate?
The molecular weight of sec-Butyl nicotinate is 179.09 g/mol.
Where can I buy sec-Butyl nicotinate?
You can request a quote for sec-Butyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.