4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide
TL;DR: 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide (CAS 451464-77-0) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentylbenzamide
Also Known As: 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide, 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentylbenzamide, F0916-5024, 4-[(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-pentylbenzamide
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 4.02739 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 1051.4501 |
Chemical Identifiers
| CAS Number | 451464-77-0 |
|---|---|
| SMILES | CCCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide (CAS 451464-77-0), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-pentylbenzamide.
Chemical Property Profile of 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide
Property Insights of 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide
The XLogP value of 4.02739 indicates that 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide. Following Lipinski's Rule of Five, 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide has 2 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 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide?
The CAS number of 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide is 451464-77-0.
What is the molecular formula of 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide?
The molecular formula of 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide is C21H23N3O2S.
What is the molecular weight of 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide?
The molecular weight of 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide is 381.15 g/mol.
Where can I buy 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide?
You can request a quote for 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-pentylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.