7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one
TL;DR: 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one (CAS 61938-72-5) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
Also Known As: 3-nitro-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one, 7,8,9,10-Tetrahydro-3-nitroazepino[2,1-b]quinazolin-12(6H)-one, 3-nitro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one, 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one, RefChem:309902
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 2.0311 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 720.8806 |
Chemical Identifiers
| CAS Number | 61938-72-5 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2CC1 |
Product Overview
7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one (CAS 61938-72-5), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: 3-nitro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.
Chemical Property Profile of 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one
Property Insights of 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one
The XLogP value of 2.0311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one. Following Lipinski's Rule of Five, 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one 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 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one?
The CAS number of 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one is 61938-72-5.
What is the molecular formula of 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one?
The molecular formula of 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one is C13H13N3O3.
What is the molecular weight of 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one?
The molecular weight of 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one is 259.10 g/mol.
Where can I buy 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one?
You can request a quote for 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7,8,9,10-Tetrahydro-3-nitroazepino(2,1-b)quinazolin-12(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.