2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one
TL;DR: 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one (CAS 107693-19-6) is a chemical compound with molecular formula C18H20N2O5 and molecular weight 344.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-6,8-dihydro-4H-chromen-5-one
Also Known As: 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one, 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-chromen-5-one, 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-6,8-dihydro-4H-chromen-5-one, 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-7,8-dihydro-4H-chromen-5(6H)-one
| Molecular Formula | C18H20N2O5 |
|---|---|
| Molecular Weight | 344.14 g/mol |
| LogP | 2.8567 |
| Topological Polar Surface Area | 104.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.1372 |
| Heavy Atoms | 25 |
| Complexity | 822.51025 |
Chemical Identifiers
| CAS Number | 107693-19-6 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC=CC=C3OC)C(=O)C1)C |
Product Overview
2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one (CAS 107693-19-6), with molecular formula C18H20N2O5 and molecular weight 344.14 g/mol. IUPAC: 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-3-nitro-6,8-dihydro-4H-chromen-5-one.
Chemical Property Profile of 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one
Property Insights of 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one
The XLogP value of 2.8567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one. The TPSA of 104.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one. Following Lipinski's Rule of Five, 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one has 1 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 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
The CAS number of 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one is 107693-19-6.
What is the molecular formula of 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
The molecular formula of 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one is C18H20N2O5.
What is the molecular weight of 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
The molecular weight of 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one is 344.14 g/mol.
Where can I buy 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
You can request a quote for 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-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-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-3-nitro-4-(2-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydro-5H-chromen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.