Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride
TL;DR: Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride (CAS 70502-79-3) is a chemical compound with molecular formula C14H20ClNO3 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride
Also Known As: 2-Pyridinylmethyl 1-hydroxycyclohexaneacetate hydrochloride, Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride, pyridin-2-ylmethyl 2-(1-hydroxycyclohexyl)acetate hydrochloride, pyridin-2-ylmethyl 2-(1-hydroxycyclohexyl)acetate,hydrochloride, (Pyridin-2-yl)methyl (1-hydroxycyclohexyl)acetate--hydrogen chloride (1/1)
| Molecular Formula | C14H20ClNO3 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 2.6319 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.11316 |
| Heavy Atoms | 19 |
| Complexity | 390.93738 |
Chemical Identifiers
| CAS Number | 70502-79-3 |
|---|---|
| SMILES | C1CCC(CC1)(CC(=O)OCC2=CC=CC=N2)O.Cl |
Product Overview
Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride (CAS 70502-79-3), with molecular formula C14H20ClNO3 and molecular weight 285.11 g/mol. IUPAC: pyridin-2-ylmethyl 2-(1-hydroxycyclohexyl)acetate;hydrochloride.
Chemical Property Profile of Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride
Property Insights of Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride
The XLogP value of 2.6319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 59.42 Ų, Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride?
The CAS number of Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride is 70502-79-3.
What is the molecular formula of Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride?
The molecular formula of Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride is C14H20ClNO3.
What is the molecular weight of Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride?
The molecular weight of Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride is 285.11 g/mol.
Where can I buy Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride?
You can request a quote for Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneacetic acid, 1-hydroxy-, 2-pyridinylmethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.