Formic acid, pyridin-2-ylmethyl ester
TL;DR: Formic acid, pyridin-2-ylmethyl ester (CAS 401515-97-7) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl formate
Also Known As: pyridin-2-ylmethyl formate, 2-pyridylmethyl formate, 2-Pyridinylmethyl formate #, (pyridin-2-yl)methyl formate, Formic acid, pyridin-2-ylmethyl ester
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 401515-97-7 |
|---|---|
| SMILES | C1=CC=NC(=C1)COC=O |
| InChIKey | IYTAUGFBQPAEGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Formic acid, pyridin-2-ylmethyl ester (CAS 401515-97-7), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: pyridin-2-ylmethyl formate.
Chemical Property Profile of Formic acid, pyridin-2-ylmethyl ester
Property Insights of Formic acid, pyridin-2-ylmethyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Formic acid, pyridin-2-ylmethyl ester. With a topological polar surface area (TPSA) of 39.2 Ų, Formic acid, pyridin-2-ylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Formic acid, pyridin-2-ylmethyl ester 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 Formic acid, pyridin-2-ylmethyl ester?
The CAS number of Formic acid, pyridin-2-ylmethyl ester is 401515-97-7.
What is the molecular formula of Formic acid, pyridin-2-ylmethyl ester?
The molecular formula of Formic acid, pyridin-2-ylmethyl ester is C7H7NO2.
What is the molecular weight of Formic acid, pyridin-2-ylmethyl ester?
The molecular weight of Formic acid, pyridin-2-ylmethyl ester is 137.05 g/mol.
Where can I buy Formic acid, pyridin-2-ylmethyl ester?
You can request a quote for Formic acid, pyridin-2-ylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Formic acid, pyridin-2-ylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Formic acid, pyridin-2-ylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.