(6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester
TL;DR: (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester (CAS 444793-22-0) is a chemical compound with molecular formula C13H10BrNO5 and molecular weight 338.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(6-bromo-2-oxochromene-3-carbonyl)carbamate
Also Known As: (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester, ethyl N-(6-bromo-2-oxochromene-3-carbonyl)carbamate, AJ-030/12105657, ethyl (6-bromo-2-oxo-2H-chromene-3-carbonyl)carbamate, ethyl (6-bromo-2-oxo-2H-chromen-3-yl)carbonylcarbamate
| Molecular Formula | C13H10BrNO5 |
|---|---|
| Molecular Weight | 338.97 g/mol |
| LogP | 2.4418 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.97424 |
| Heavy Atoms | 20 |
| Complexity | 737.1092 |
Chemical Identifiers
| CAS Number | 444793-22-0 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O |
Product Overview
(6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester (CAS 444793-22-0), with molecular formula C13H10BrNO5 and molecular weight 338.97 g/mol. IUPAC: ethyl N-(6-bromo-2-oxochromene-3-carbonyl)carbamate.
Chemical Property Profile of (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester
Property Insights of (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester
The XLogP value of 2.4418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester. Following Lipinski's Rule of Five, (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester has 1 hydrogen bond donor(s) and 5 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 (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester?
The CAS number of (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester is 444793-22-0.
What is the molecular formula of (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester?
The molecular formula of (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester is C13H10BrNO5.
What is the molecular weight of (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester?
The molecular weight of (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester is 338.97 g/mol.
Where can I buy (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester?
You can request a quote for (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (6-bromo-2-oxo-2H-chromene-3-carbonyl)-carbamic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.