1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-
TL;DR: 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro- (CAS 89586-42-5) is a chemical compound with molecular formula C13H11NO6 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,6-dimethyl-7-nitro-1-oxoisochromen-8-yl) acetate
Also Known As: 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-, (3,6-dimethyl-7-nitro-1-oxoisochromen-8-yl) acetate, 3,6-Dimethyl-7-nitro-1-oxo-1H-isochromen-8-yl acetate, 3,6-Dimethyl-7-nitro-1-oxo-1H-2-benzopyran-8-yl acetate, 3,6-Dimethyl-7-nitro-1-oxo-1H-isochromen-8-yl acetate #
| Molecular Formula | C13H11NO6 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.05862 |
| Heavy Atoms | 20 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 89586-42-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1[N+](=O)[O-])OC(=O)C)C(=O)OC(=C2)C |
| InChIKey | GNABCWNAWRSWAD-UHFFFAOYSA-N |
Product Overview
1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro- (CAS 89586-42-5), with molecular formula C13H11NO6 and molecular weight 277.06 g/mol. IUPAC: (3,6-dimethyl-7-nitro-1-oxoisochromen-8-yl) acetate.
Chemical Property Profile of 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-
Property Insights of 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-. Following Lipinski's Rule of Five, 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro- has 0 hydrogen bond donor(s) and 6 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 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-?
The CAS number of 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro- is 89586-42-5.
What is the molecular formula of 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-?
The molecular formula of 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro- is C13H11NO6.
What is the molecular weight of 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-?
The molecular weight of 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro- is 277.06 g/mol.
Where can I buy 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-?
You can request a quote for 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2-Benzopyran-1-one, 8-(acetyloxy)-3,6-dimethyl-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.