Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate
TL;DR: Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate (CAS 323201-22-5) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate
Also Known As: Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate, 3-HYDROXYMETHYL-1(2H)-PYRIDINECARBOXYLIC ACID, PHENYL ESTER, J1.620.089A, Phenyl 3-(hydroxymethyl)pyridine-1(2H)-carboxylate, 3-HYDROXYMETHYL-2H-PYRIDINE-1-CARBOXYLIC ACID PHENYL ESTER
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 1.9334 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 450.9922 |
Chemical Identifiers
| CAS Number | 323201-22-5 |
|---|---|
| SMILES | C1C(=CC=CN1C(=O)OC2=CC=CC=C2)CO |
Product Overview
Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate (CAS 323201-22-5), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate.
Chemical Property Profile of Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate
Property Insights of Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate
The XLogP value of 1.9334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate. With a topological polar surface area (TPSA) of 49.77 Ų, Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate has 1 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 Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate?
The CAS number of Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate is 323201-22-5.
What is the molecular formula of Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate?
The molecular formula of Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate is C13H13NO3.
What is the molecular weight of Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate?
The molecular weight of Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate is 231.09 g/mol.
Where can I buy Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate?
You can request a quote for Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-(hydroxymethyl)-2H-pyridine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.