![1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide structure](/static/products/4215/421591-75-5.webp)
1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide
TL;DR: 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide (CAS 421591-75-5) is a chemical compound with molecular formula C21H19FN4O3S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide
Also Known As: 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide, 1-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide, 1-[3-(4-fluorophenyl)-4-oxo-2-sulfanyl-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide, 1-[3-(4-FLUOROPHENYL)-4-OXO-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBONYL]PIPERIDINE-4-CARBOXAMIDE
| Molecular Formula | C21H19FN4O3S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 2.52489 |
| Topological Polar Surface Area | 101.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.11618 |
| Heavy Atoms | 30 |
| Complexity | 1257.967 |
Chemical Identifiers
| CAS Number | 421591-75-5 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F |
Product Overview
1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide (CAS 421591-75-5), with molecular formula C21H19FN4O3S and molecular weight 426.12 g/mol. IUPAC: 1-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide
Property Insights of 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide
The XLogP value of 2.52489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide. The TPSA of 101.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide. Following Lipinski's Rule of Five, 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide has 2 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 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide?
The CAS number of 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide is 421591-75-5.
What is the molecular formula of 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide?
The molecular formula of 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide is C21H19FN4O3S.
What is the molecular weight of 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide?
The molecular weight of 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide is 426.12 g/mol.
Where can I buy 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide?
You can request a quote for 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-{[3-(4-fluorophenyl)-2-mercapto-4-oxo-3,4-dihydroquinazolin-7-yl]carbonyl}piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.