isopropyl N-(5-chloro-2-pyridyl)carbamate
TL;DR: isopropyl N-(5-chloro-2-pyridyl)carbamate (CAS 97966-86-4) is a chemical compound with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-(5-chloro-2-pyridinyl)carbamate
Also Known As: 3-benzoyl-4-phenyl-2-pyrazoline, 4-Nitro-carbanilsaeure-isopropylester, propan-2-yl(5-chloropyridin-2-yl)carbamate, isopropyl N-(5-chloro-2-pyridyl)carbamate, propan-2-yl N-(5-chloropyridin-2-yl)carbamate
| Molecular Formula | C9H11ClN2O2 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.0509 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 97966-86-4 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=NC=C(C=C1)Cl |
| InChIKey | OFPWKJNABBWYQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
isopropyl N-(5-chloro-2-pyridyl)carbamate (CAS 97966-86-4), with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol. IUPAC: propan-2-yl N-(5-chloro-2-pyridinyl)carbamate.
Chemical Property Profile of isopropyl N-(5-chloro-2-pyridyl)carbamate
Property Insights of isopropyl N-(5-chloro-2-pyridyl)carbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isopropyl N-(5-chloro-2-pyridyl)carbamate. With a topological polar surface area (TPSA) of 51.2 Ų, isopropyl N-(5-chloro-2-pyridyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl N-(5-chloro-2-pyridyl)carbamate 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 isopropyl N-(5-chloro-2-pyridyl)carbamate?
The CAS number of isopropyl N-(5-chloro-2-pyridyl)carbamate is 97966-86-4.
What is the molecular formula of isopropyl N-(5-chloro-2-pyridyl)carbamate?
The molecular formula of isopropyl N-(5-chloro-2-pyridyl)carbamate is C9H11ClN2O2.
What is the molecular weight of isopropyl N-(5-chloro-2-pyridyl)carbamate?
The molecular weight of isopropyl N-(5-chloro-2-pyridyl)carbamate is 214.05 g/mol.
Where can I buy isopropyl N-(5-chloro-2-pyridyl)carbamate?
You can request a quote for isopropyl N-(5-chloro-2-pyridyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl N-(5-chloro-2-pyridyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl N-(5-chloro-2-pyridyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.