4-Pyridinylmethyl 3-chlorophenylcarbamate
TL;DR: 4-Pyridinylmethyl 3-chlorophenylcarbamate (CAS 21780-38-1) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-4-ylmethyl N-(3-chlorophenyl)carbamate
Also Known As: 4-pyridinylmethyl 3-chlorophenylcarbamate, Pyridin-4-ylmethyl N-(3-chlorophenyl)carbamate, 4-pyridylmethyl n-(3-chlorophenyl)carbamate
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 3.4837 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 531.5243 |
Chemical Identifiers
| CAS Number | 21780-38-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)OCC2=CC=NC=C2 |
Product Overview
4-Pyridinylmethyl 3-chlorophenylcarbamate (CAS 21780-38-1), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: pyridin-4-ylmethyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 4-Pyridinylmethyl 3-chlorophenylcarbamate
Property Insights of 4-Pyridinylmethyl 3-chlorophenylcarbamate
The XLogP value of 3.4837 indicates that 4-Pyridinylmethyl 3-chlorophenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 4-Pyridinylmethyl 3-chlorophenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinylmethyl 3-chlorophenylcarbamate 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 4-Pyridinylmethyl 3-chlorophenylcarbamate?
The CAS number of 4-Pyridinylmethyl 3-chlorophenylcarbamate is 21780-38-1.
What is the molecular formula of 4-Pyridinylmethyl 3-chlorophenylcarbamate?
The molecular formula of 4-Pyridinylmethyl 3-chlorophenylcarbamate is C13H11ClN2O2.
What is the molecular weight of 4-Pyridinylmethyl 3-chlorophenylcarbamate?
The molecular weight of 4-Pyridinylmethyl 3-chlorophenylcarbamate is 262.05 g/mol.
Where can I buy 4-Pyridinylmethyl 3-chlorophenylcarbamate?
You can request a quote for 4-Pyridinylmethyl 3-chlorophenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinylmethyl 3-chlorophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinylmethyl 3-chlorophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.