3-Methyl-6-nitrocoumarin
TL;DR: 3-Methyl-6-nitrocoumarin (CAS 95532-74-4) is a chemical compound with molecular formula C10H7NO4 and molecular weight 205.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-nitrochromen-2-one
Also Known As: 3-Methyl-6-nitrocoumarin, 3-methyl-6-nitro-2H-chromen-2-one, 3-methyl-6-nitrochromen-2-one, 3-methyl-6-nitro-chromen-2-one, 2-Methyl-6-nitro-4H-chromen-4-one
| Molecular Formula | C10H7NO4 |
|---|---|
| Molecular Weight | 205.04 g/mol |
| LogP | 2.00962 |
| Topological Polar Surface Area | 73.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.0375 |
| Heavy Atoms | 15 |
| Complexity | 599.88416 |
Chemical Identifiers
| CAS Number | 95532-74-4 |
|---|---|
| SMILES | CC1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O |
Product Overview
3-Methyl-6-nitrocoumarin (CAS 95532-74-4), with molecular formula C10H7NO4 and molecular weight 205.04 g/mol. IUPAC: 3-methyl-6-nitrochromen-2-one.
Chemical Property Profile of 3-Methyl-6-nitrocoumarin
Property Insights of 3-Methyl-6-nitrocoumarin
The XLogP value of 2.00962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-6-nitrocoumarin. The TPSA of 73.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-6-nitrocoumarin. Following Lipinski's Rule of Five, 3-Methyl-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-Methyl-6-nitrocoumarin?
The CAS number of 3-Methyl-6-nitrocoumarin is 95532-74-4.
What is the molecular formula of 3-Methyl-6-nitrocoumarin?
The molecular formula of 3-Methyl-6-nitrocoumarin is C10H7NO4.
What is the molecular weight of 3-Methyl-6-nitrocoumarin?
The molecular weight of 3-Methyl-6-nitrocoumarin is 205.04 g/mol.
Where can I buy 3-Methyl-6-nitrocoumarin?
You can request a quote for 3-Methyl-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-Methyl-6-nitrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-6-nitrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.