![N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide structure](/static/products/742/742116-64-9.png)
N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
TL;DR: N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide (CAS 742116-64-9) is a chemical compound with molecular formula C21H20FN3O2 and molecular weight 365.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Also Known As: N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide, N-[(4-fluorophenyl)methyl]-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide, N-[(4-fluorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
| Molecular Formula | C21H20FN3O2 |
|---|---|
| Molecular Weight | 365.15 g/mol |
| LogP | 3.192 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.15396 |
| Heavy Atoms | 27 |
| Complexity | 1057.4501 |
Chemical Identifiers
| CAS Number | 742116-64-9 |
|---|---|
| SMILES | C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C(=O)N2CC1 |
Product Overview
N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide (CAS 742116-64-9), with molecular formula C21H20FN3O2 and molecular weight 365.15 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide.
Chemical Property Profile of N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Property Insights of N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
The XLogP value of 3.192 indicates that N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide. Following Lipinski's Rule of Five, N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide has 1 hydrogen bond donor(s) and 3 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 N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide?
The CAS number of N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide is 742116-64-9.
What is the molecular formula of N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide?
The molecular formula of N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide is C21H20FN3O2.
What is the molecular weight of N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide?
The molecular weight of N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide is 365.15 g/mol.
Where can I buy N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide?
You can request a quote for N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorobenzyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.