3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one
TL;DR: 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one (CAS 66248-98-4) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-nitro-2,3-dihydroinden-1-one
Also Known As: 1-Indanone, 3-methyl-6-nitro, 3-Methyl-6-nitro-1-indanone #, 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one, 3-methyl-6-nitro-2,3-dihydroinden-1-one, 2,3-Dihydro-3-methyl-6-nitro-1H-inden-1-one
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 66248-98-4 |
|---|---|
| SMILES | CC1CC(=O)C2=C1C=CC(=C2)[N+](=O)[O-] |
| InChIKey | UJRGMTOHSINAQR-UHFFFAOYSA-N |
Product Overview
3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one (CAS 66248-98-4), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 3-methyl-6-nitro-2,3-dihydroinden-1-one.
Chemical Property Profile of 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one
Property Insights of 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one. Following Lipinski's Rule of Five, 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one has 0 hydrogen bond donor(s) and 3 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-nitro-2,3-dihydro-1H-inden-1-one?
The CAS number of 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one is 66248-98-4.
What is the molecular formula of 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one?
The molecular formula of 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one is C10H9NO3.
What is the molecular weight of 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one?
The molecular weight of 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one is 191.06 g/mol.
Where can I buy 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one?
You can request a quote for 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one 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-nitro-2,3-dihydro-1H-inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.