3-Bromo-6-nitrocoumarin
TL;DR: 3-Bromo-6-nitrocoumarin (CAS 6266-55-3) is a chemical compound with molecular formula C9H4BrNO4 and molecular weight 268.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-6-nitrochromen-2-one
Also Known As: 3-bromo-6-nitro-2h-chromen-2-one, 3-bromo-6-nitrocoumarin, 3-bromo-6-nitrochromen-2-one, 3-Brom-6-nitro-cumarin, Coumarin, 3-bromo-6-nitro-
| Molecular Formula | C9H4BrNO4 |
|---|---|
| Molecular Weight | 268.93 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.93237 |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 6266-55-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)Br |
| InChIKey | CMASVHRZKKMZCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-6-nitrocoumarin (CAS 6266-55-3), with molecular formula C9H4BrNO4 and molecular weight 268.93 g/mol. IUPAC: 3-bromo-6-nitrochromen-2-one.
Chemical Property Profile of 3-Bromo-6-nitrocoumarin
Property Insights of 3-Bromo-6-nitrocoumarin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-6-nitrocoumarin. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-6-nitrocoumarin. Following Lipinski's Rule of Five, 3-Bromo-6-nitrocoumarin 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-Bromo-6-nitrocoumarin?
The CAS number of 3-Bromo-6-nitrocoumarin is 6266-55-3.
What is the molecular formula of 3-Bromo-6-nitrocoumarin?
The molecular formula of 3-Bromo-6-nitrocoumarin is C9H4BrNO4.
What is the molecular weight of 3-Bromo-6-nitrocoumarin?
The molecular weight of 3-Bromo-6-nitrocoumarin is 268.93 g/mol.
Where can I buy 3-Bromo-6-nitrocoumarin?
You can request a quote for 3-Bromo-6-nitrocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-6-nitrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-6-nitrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.