3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate
TL;DR: 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate (CAS 869080-47-7) is a chemical compound with molecular formula C18H14ClNO4 and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-2-oxochromen-7-yl] N,N-dimethylcarbamate
Also Known As: 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate, [3-(4-chlorophenyl)-2-oxochromen-7-yl] N,N-dimethylcarbamate, 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl N,N-dimethylcarbamate, F1862-0449, [3-(4-chlorophenyl)-2-oxochromen-7-yloxy]-N,N-dimethylcarboxamide
| Molecular Formula | C18H14ClNO4 |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 4.1738 |
| Topological Polar Surface Area | 59.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.06113 |
| Heavy Atoms | 24 |
| Complexity | 960.90985 |
Chemical Identifiers
| CAS Number | 869080-47-7 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate (CAS 869080-47-7), with molecular formula C18H14ClNO4 and molecular weight 343.06 g/mol. IUPAC: [3-(4-chlorophenyl)-2-oxochromen-7-yl] N,N-dimethylcarbamate.
Chemical Property Profile of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate
Property Insights of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate
The XLogP value of 4.1738 indicates that 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.75 Ų, 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate has 0 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 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate?
The CAS number of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate is 869080-47-7.
What is the molecular formula of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate?
The molecular formula of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate is C18H14ClNO4.
What is the molecular weight of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate?
The molecular weight of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate is 343.06 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate?
You can request a quote for 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.