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4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one
TL;DR: 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one (CAS 75616-45-4) is a chemical compound with molecular formula C13H9NO5 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-dimethyl-9-nitrofuro[2,3-h]chromen-2-one
Also Known As: 4,8-dimethyl-9-nitrofuro[2,3-h]chromen-2-one, 4,8-Dimethyl-9-nitro-2H-furo[2,3-h][1]benzopyran-2-one
| Molecular Formula | C13H9NO5 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.04807 |
| Heavy Atoms | 19 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 75616-45-4 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C)[N+](=O)[O-] |
| InChIKey | OCIDGMXWNUKGRJ-UHFFFAOYSA-N |
Product Overview
4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one (CAS 75616-45-4), with molecular formula C13H9NO5 and molecular weight 259.05 g/mol. IUPAC: 4,8-dimethyl-9-nitrofuro[2,3-h]chromen-2-one.
Chemical Property Profile of 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one
Property Insights of 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one. Following Lipinski's Rule of Five, 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one has 0 hydrogen bond donor(s) and 5 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 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one?
The CAS number of 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one is 75616-45-4.
What is the molecular formula of 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one?
The molecular formula of 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one is C13H9NO5.
What is the molecular weight of 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one?
The molecular weight of 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one is 259.05 g/mol.
Where can I buy 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one?
You can request a quote for 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,8-Dimethyl-9-nitrofuro[2,3-h]chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.