3-Brom-4-chlor-cumarin
TL;DR: 3-Brom-4-chlor-cumarin (CAS 20875-96-1) is a chemical compound with molecular formula C9H4BrClO2 and molecular weight 257.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-chlorochromen-2-one
Also Known As: 3-Brom-4-chlor-cumarin, 3-bromo-4-chloro-chromen-2-one, 3-bromo-4-chlorochromen-2-one
| Molecular Formula | C9H4BrClO2 |
|---|---|
| Molecular Weight | 257.91 g/mol |
| LogP | 3.2089 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.90833 |
| Heavy Atoms | 13 |
| Complexity | 518.4939 |
Chemical Identifiers
| CAS Number | 20875-96-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)Br)Cl |
Product Overview
3-Brom-4-chlor-cumarin (CAS 20875-96-1), with molecular formula C9H4BrClO2 and molecular weight 257.91 g/mol. IUPAC: 3-bromo-4-chlorochromen-2-one.
Chemical Property Profile of 3-Brom-4-chlor-cumarin
Property Insights of 3-Brom-4-chlor-cumarin
The XLogP value of 3.2089 indicates that 3-Brom-4-chlor-cumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 3-Brom-4-chlor-cumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Brom-4-chlor-cumarin has 0 hydrogen bond donor(s) and 2 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-Brom-4-chlor-cumarin?
The CAS number of 3-Brom-4-chlor-cumarin is 20875-96-1.
What is the molecular formula of 3-Brom-4-chlor-cumarin?
The molecular formula of 3-Brom-4-chlor-cumarin is C9H4BrClO2.
What is the molecular weight of 3-Brom-4-chlor-cumarin?
The molecular weight of 3-Brom-4-chlor-cumarin is 257.91 g/mol.
Where can I buy 3-Brom-4-chlor-cumarin?
You can request a quote for 3-Brom-4-chlor-cumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Brom-4-chlor-cumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Brom-4-chlor-cumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.