3,4-Dihydro-6-nitrocoumarin
TL;DR: 3,4-Dihydro-6-nitrocoumarin (CAS 21018-30-4) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3,4-dihydrochromen-2-one
Also Known As: 6-Nitro-2-chromanone, 6-nitrodihydrocoumarin, 6-nitro-3,4-dihydrochromen-2-one, 3,4-Dihydro-6-nitrocoumarin, 6-Nitrochroman-2-one
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 21018-30-4 |
|---|---|
| SMILES | C1CC(=O)OC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | GOHGBRHKCJJPJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-6-nitrocoumarin (CAS 21018-30-4), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 6-nitro-3,4-dihydrochromen-2-one.
Chemical Property Profile of 3,4-Dihydro-6-nitrocoumarin
Property Insights of 3,4-Dihydro-6-nitrocoumarin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-6-nitrocoumarin. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-6-nitrocoumarin. Following Lipinski's Rule of Five, 3,4-Dihydro-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 3,4-Dihydro-6-nitrocoumarin?
The CAS number of 3,4-Dihydro-6-nitrocoumarin is 21018-30-4.
What is the molecular formula of 3,4-Dihydro-6-nitrocoumarin?
The molecular formula of 3,4-Dihydro-6-nitrocoumarin is C9H7NO4.
What is the molecular weight of 3,4-Dihydro-6-nitrocoumarin?
The molecular weight of 3,4-Dihydro-6-nitrocoumarin is 193.04 g/mol.
Where can I buy 3,4-Dihydro-6-nitrocoumarin?
You can request a quote for 3,4-Dihydro-6-nitrocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-6-nitrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-6-nitrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.