2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone
TL;DR: 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone (CAS 708992-59-0) is a chemical compound with molecular formula C21H22FN3O and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
Also Known As: 2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one, 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone, AP-064/42049298
| Molecular Formula | C21H22FN3O |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 3.9008 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.17468 |
| Heavy Atoms | 26 |
| Complexity | 957.1473 |
Chemical Identifiers
| CAS Number | 708992-59-0 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F |
Product Overview
2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone (CAS 708992-59-0), with molecular formula C21H22FN3O and molecular weight 351.17 g/mol. IUPAC: 2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one.
Chemical Property Profile of 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone
Property Insights of 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone
The XLogP value of 3.9008 indicates that 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone has 0 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 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone?
The CAS number of 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone is 708992-59-0.
What is the molecular formula of 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone?
The molecular formula of 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone is C21H22FN3O.
What is the molecular weight of 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone?
The molecular weight of 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone is 351.17 g/mol.
Where can I buy 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone?
You can request a quote for 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-azepanylmethyl)-3-(4-fluorophenyl)-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.