ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate
TL;DR: ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate (CAS 147963-30-2) is a chemical compound with molecular formula C13H12ClNO4 and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(chloromethyl)-2-oxochromen-7-yl]carbamate
Also Known As: ethyl N-[4-(chloromethyl)-2-oxo-2H-chromen-7-yl]carbamate, Ethyl (4-ChloroMethyl)couMarin-7-carbaMate, 7-carbethoxyamino-4-chloromethylcoumarin, ethyl N-[4-(chloromethyl)-2-oxochromen-7-yl]carbamate, (4-Chloromethyl-2-oxo-2H-chromen-7-yl)-carbamic acid ethyl ester
| Molecular Formula | C13H12ClNO4 |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 3.1002 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.04547 |
| Heavy Atoms | 19 |
| Complexity | 665.2311 |
Chemical Identifiers
| CAS Number | 147963-30-2 |
|---|---|
| SMILES | CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CCl |
Product Overview
ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate (CAS 147963-30-2), with molecular formula C13H12ClNO4 and molecular weight 281.05 g/mol. IUPAC: ethyl N-[4-(chloromethyl)-2-oxochromen-7-yl]carbamate.
Chemical Property Profile of ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate
Property Insights of ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate
The XLogP value of 3.1002 indicates that ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate. Following Lipinski's Rule of Five, ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate 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 ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate?
The CAS number of ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate is 147963-30-2.
What is the molecular formula of ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate?
The molecular formula of ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate is C13H12ClNO4.
What is the molecular weight of ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate?
The molecular weight of ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate is 281.05 g/mol.
Where can I buy ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate?
You can request a quote for ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(4-(chloromethyl)-2-oxo-2H-chromen-7-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.