N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide
TL;DR: N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide (CAS 443348-26-3) is a chemical compound with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methoxyphenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
Also Known As: F0916-4134, N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide, N-[(2-methoxyphenyl)methyl]-6-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)hexanamide, N-[(2-methoxyphenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
| Molecular Formula | C22H25N3O3S |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 3.94449 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.16165 |
| Heavy Atoms | 29 |
| Complexity | 1104.1431 |
Chemical Identifiers
| CAS Number | 443348-26-3 |
|---|---|
| SMILES | COC1=CC=CC=C1CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide (CAS 443348-26-3), with molecular formula C22H25N3O3S and molecular weight 411.16 g/mol. IUPAC: N-[(2-methoxyphenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide.
Chemical Property Profile of N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide
Property Insights of N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide
The XLogP value of 3.94449 indicates that N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide. Following Lipinski's Rule of Five, N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide 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 N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide?
The CAS number of N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide is 443348-26-3.
What is the molecular formula of N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide?
The molecular formula of N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide is C22H25N3O3S.
What is the molecular weight of N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide?
The molecular weight of N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide is 411.16 g/mol.
Where can I buy N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide?
You can request a quote for N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methoxybenzyl)-6-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.