![2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one structure](/static/products/4433/443356-07-8.webp)
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one
TL;DR: 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one (CAS 443356-07-8) is a chemical compound with molecular formula C25H27N5OS and molecular weight 445.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4-one
Also Known As: 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one, F0916-4725, 2-((4-(tert-butyl)benzyl)thio)-3-((4,6-dimethylpyrimidin-2-yl)amino)quinazolin-4(3H)-one, 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4-one, 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(4-tert-butylphenyl)methylsulfanyl]quinazolin-4-one
| Molecular Formula | C25H27N5OS |
|---|---|
| Molecular Weight | 445.19 g/mol |
| LogP | 5.26834 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.19363 |
| Heavy Atoms | 32 |
| Complexity | 1302.9817 |
Chemical Identifiers
| CAS Number | 443356-07-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(C)(C)C)C |
Product Overview
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one (CAS 443356-07-8), with molecular formula C25H27N5OS and molecular weight 445.19 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4-one.
Chemical Property Profile of 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one
Property Insights of 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one
The XLogP value of 5.26834 indicates that 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one?
The CAS number of 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one is 443356-07-8.
What is the molecular formula of 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one?
The molecular formula of 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one is C25H27N5OS.
What is the molecular weight of 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one?
The molecular weight of 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one is 445.19 g/mol.
Where can I buy 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one?
You can request a quote for 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.