3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-
TL;DR: 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro- (CAS 187872-28-2) 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.
7-nitro-1,4-dihydroisochromen-3-one
Also Known As: 7-nitro-1,4-dihydroisochromen-3-one, 7-nitro-1,4-dihydro-3H-isochromen-3-one, 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-, 7-Nitro-1,4-dihydro-3H-2-benzopyran-3-one, 7-nitro-3,4-dihydro-1H-2-benzopyran-3-one
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 1.1 |
| 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 | 187872-28-2 |
|---|---|
| SMILES | C1C2=C(COC1=O)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | VHMCYGLKUONZLS-UHFFFAOYSA-N |
Product Overview
3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro- (CAS 187872-28-2), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 7-nitro-1,4-dihydroisochromen-3-one.
Chemical Property Profile of 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-
Property Insights of 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-. Following Lipinski's Rule of Five, 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro- 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 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-?
The CAS number of 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro- is 187872-28-2.
What is the molecular formula of 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-?
The molecular formula of 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro- is C9H7NO4.
What is the molecular weight of 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-?
The molecular weight of 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro- is 193.04 g/mol.
Where can I buy 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-?
You can request a quote for 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 3H-2-benzopyran-3-one, 1,4-dihydro-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.