2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one
TL;DR: 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one (CAS 95642-41-4) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-3-nitro-4-phenyl-6,8-dihydro-4H-chromen-5-one
Also Known As: 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one, A0508/0023591, 2-amino-7,7-dimethyl-3-nitro-4-phenyl-6,8-dihydro-4H-chromen-5-one, 2-amino-7,7-dimethyl-3-nitro-4-phenyl-7,8-dihydro-4H-chromen-5(6H)-one
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.8481 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 747.1167 |
Chemical Identifiers
| CAS Number | 95642-41-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC=CC=C3)C(=O)C1)C |
Product Overview
2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one (CAS 95642-41-4), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 2-amino-7,7-dimethyl-3-nitro-4-phenyl-6,8-dihydro-4H-chromen-5-one.
Chemical Property Profile of 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one
Property Insights of 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one
The XLogP value of 2.8481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one. Following Lipinski's Rule of Five, 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one has 1 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 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
The CAS number of 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one is 95642-41-4.
What is the molecular formula of 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
The molecular formula of 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one is C17H18N2O4.
What is the molecular weight of 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
The molecular weight of 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one is 314.13 g/mol.
Where can I buy 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
You can request a quote for 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-7,7-dimethyl-3-nitro-4-phenyl-4,6,7,8-tetrahydro-5H-chromen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.