Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate
TL;DR: Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate (CAS 444793-23-1) is a chemical compound with molecular formula C15H13Cl2NO5 and molecular weight 357.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(6,8-dichloro-2-oxochromene-3-carbonyl)carbamate
Also Known As: Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate, butyl N-(6,8-dichloro-2-oxochromene-3-carbonyl)carbamate, AJ-030/12105661, (6,8-dichloro-2-oxo-2h-chromene-3-carbonyl)-carbamic acid butyl ester, butyl N-(6,8-dichloro-2-oxo-chromene-3-carbonyl)carbamate
| Molecular Formula | C15H13Cl2NO5 |
|---|---|
| Molecular Weight | 357.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.0171 |
| Heavy Atoms | 23 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 444793-23-1 |
|---|---|
| SMILES | CCCCOC(=O)NC(=O)C1=CC2=CC(=CC(=C2OC1=O)Cl)Cl |
| InChIKey | RUUBLZGOHNJKER-UHFFFAOYSA-N |
Product Overview
Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate (CAS 444793-23-1), with molecular formula C15H13Cl2NO5 and molecular weight 357.02 g/mol. IUPAC: butyl N-(6,8-dichloro-2-oxochromene-3-carbonyl)carbamate.
Chemical Property Profile of Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate
Property Insights of Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate
The XLogP value of 4.6 indicates that Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate. Following Lipinski's Rule of Five, Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate 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 Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate?
The CAS number of Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate is 444793-23-1.
What is the molecular formula of Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate?
The molecular formula of Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate is C15H13Cl2NO5.
What is the molecular weight of Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate?
The molecular weight of Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate is 357.02 g/mol.
Where can I buy Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate?
You can request a quote for Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.