7-Chloroquinolin-4-yl dimethylcarbamate
TL;DR: 7-Chloroquinolin-4-yl dimethylcarbamate (CAS 431941-39-8) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-chloroquinolin-4-yl) N,N-dimethylcarbamate
Also Known As: 7-chloroquinolin-4-yl dimethylcarbamate, 7-chloro-4-quinolinyl dimethylcarbamate, BAS 03429846, (7-chloroquinolin-4-yl) N,N-dimethylcarbamate, AP-124/40904285
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 431941-39-8 |
|---|---|
| SMILES | CN(C)C(=O)OC1=C2C=CC(=CC2=NC=C1)Cl |
| InChIKey | FJLCBOSCJKXAJO-UHFFFAOYSA-N |
Product Overview
7-Chloroquinolin-4-yl dimethylcarbamate (CAS 431941-39-8), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: (7-chloroquinolin-4-yl) N,N-dimethylcarbamate.
Chemical Property Profile of 7-Chloroquinolin-4-yl dimethylcarbamate
Property Insights of 7-Chloroquinolin-4-yl dimethylcarbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloroquinolin-4-yl dimethylcarbamate. With a topological polar surface area (TPSA) of 42.4 Ų, 7-Chloroquinolin-4-yl dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloroquinolin-4-yl dimethylcarbamate 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 7-Chloroquinolin-4-yl dimethylcarbamate?
The CAS number of 7-Chloroquinolin-4-yl dimethylcarbamate is 431941-39-8.
What is the molecular formula of 7-Chloroquinolin-4-yl dimethylcarbamate?
The molecular formula of 7-Chloroquinolin-4-yl dimethylcarbamate is C12H11ClN2O2.
What is the molecular weight of 7-Chloroquinolin-4-yl dimethylcarbamate?
The molecular weight of 7-Chloroquinolin-4-yl dimethylcarbamate is 250.05 g/mol.
Where can I buy 7-Chloroquinolin-4-yl dimethylcarbamate?
You can request a quote for 7-Chloroquinolin-4-yl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloroquinolin-4-yl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloroquinolin-4-yl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.