CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER
TL;DR: CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER (CAS 4867-61-2) is a chemical compound with molecular formula C13H11FN2O2 and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
Also Known As: 4-Pyridylmethyl p-fluorocarbanilate, p-Fluorocarbanilic acid 4-pyridylmethyl ester, pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate, CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER, 4-Fluorocarbanilic acid 4-pyridylmethyl ester
| Molecular Formula | C13H11FN2O2 |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.08046 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 4867-61-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)OCC2=CC=NC=C2)F |
| InChIKey | LOWXZIMNVQRJIQ-UHFFFAOYSA-N |
Product Overview
CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER (CAS 4867-61-2), with molecular formula C13H11FN2O2 and molecular weight 246.08 g/mol. IUPAC: pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate.
Chemical Property Profile of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER
Property Insights of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER. With a topological polar surface area (TPSA) of 51.2 Ų, CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER 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 CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER?
The CAS number of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER is 4867-61-2.
What is the molecular formula of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER?
The molecular formula of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER is C13H11FN2O2.
What is the molecular weight of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER?
The molecular weight of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER is 246.08 g/mol.
Where can I buy CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER?
You can request a quote for CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.