Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI)
TL;DR: Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI) (CAS 18210-94-1) is a chemical compound with molecular formula C14H14ClNO3 and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl pyridine-3-carboxylate;hydrochloride
Also Known As: Ethanol, 2-phenoxy-, nicotinate, hydrochloride, 3-Pyridinecarboxylic acid, 2-phenoxyethyl ester, hydrochloride, Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI), Ester nicotinique de l'alcool phenoxyethylique chlorhydrate, Ester nicotinique de l'alcool phenoxyethylique chlorhydrate [French]
| Molecular Formula | C14H14ClNO3 |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 2.7392 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.06622 |
| Heavy Atoms | 19 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 18210-94-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCOC(=O)C2=CN=CC=C2.Cl |
| InChIKey | OHMSXCOYZFNYJU-UHFFFAOYSA-N |
Product Overview
Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI) (CAS 18210-94-1), with molecular formula C14H14ClNO3 and molecular weight 279.07 g/mol. IUPAC: 2-phenoxyethyl pyridine-3-carboxylate;hydrochloride.
Chemical Property Profile of Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI)
Property Insights of Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI)
The XLogP value of 2.7392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI). With a topological polar surface area (TPSA) of 48.4 Ų, Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI) 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 Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI)?
The CAS number of Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI) is 18210-94-1.
What is the molecular formula of Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI)?
The molecular formula of Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI) is C14H14ClNO3.
What is the molecular weight of Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI)?
The molecular weight of Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI) is 279.07 g/mol.
Where can I buy Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI)?
You can request a quote for Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI)?
Yes, KEHONG BIO provides custom synthesis services for Nicotinic acid, 2-phenoxyethyl ester, hydrochloride (7CI,8CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.