N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide
TL;DR: N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide (CAS 413616-40-7) is a chemical compound with molecular formula C17H16FN3O2 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-fluorobenzamide
Also Known As: N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide, N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-fluorobenzamide, N-(7,7-dimethyl-5-oxo(6,7,8-trihydroquinazolin-2-yl))(4-fluorophenyl)carboxami de, N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl)-4-fluorobenzamide
| Molecular Formula | C17H16FN3O2 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.0231 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.12265 |
| Heavy Atoms | 23 |
| Complexity | 784.92554 |
Chemical Identifiers
| CAS Number | 413616-40-7 |
|---|---|
| SMILES | CC1(CC2=NC(=NC=C2C(=O)C1)NC(=O)C3=CC=C(C=C3)F)C |
Product Overview
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide (CAS 413616-40-7), with molecular formula C17H16FN3O2 and molecular weight 313.12 g/mol. IUPAC: N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-fluorobenzamide.
Chemical Property Profile of N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide
Property Insights of N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide
The XLogP value of 3.0231 indicates that N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide has 1 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 N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide?
The CAS number of N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide is 413616-40-7.
What is the molecular formula of N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide?
The molecular formula of N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide is C17H16FN3O2.
What is the molecular weight of N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide?
The molecular weight of N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide is 313.12 g/mol.
Where can I buy N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide?
You can request a quote for N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.