3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride
TL;DR: 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride (CAS 76928-34-2) is a chemical compound with molecular formula C18H20ClNO2 and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyclohexylphenyl) pyridine-3-carboxylate;hydrochloride
Also Known As: o-Cyclohexylphenyl nicotinate hydrochloride, Nicotinic acid, o-cyclohexylphenyl ester, hydrochloride, 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride, (2-cyclohexylphenyl) pyridine-3-carboxylate hydrochloride, 2-Cyclohexylphenyl pyridine-3-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C18H20ClNO2 |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 4.7703 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.11826 |
| Heavy Atoms | 22 |
| Complexity | 609.494 |
Chemical Identifiers
| CAS Number | 76928-34-2 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=CC=C2OC(=O)C3=CN=CC=C3.Cl |
Product Overview
3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride (CAS 76928-34-2), with molecular formula C18H20ClNO2 and molecular weight 317.12 g/mol. IUPAC: (2-cyclohexylphenyl) pyridine-3-carboxylate;hydrochloride.
Chemical Property Profile of 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride
Property Insights of 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride
The XLogP value of 4.7703 indicates that 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride 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 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride?
The CAS number of 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride is 76928-34-2.
What is the molecular formula of 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride?
The molecular formula of 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride is C18H20ClNO2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride?
The molecular weight of 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride is 317.12 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride?
You can request a quote for 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.