4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
TL;DR: 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one (CAS 898450-46-9) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
Also Known As: F2684-0086, 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one, 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one, 4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,2,5,6,7,8-hexahydroquinazolin-2-one
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 2.6323 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 768.3982 |
Chemical Identifiers
| CAS Number | 898450-46-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NC(=O)NC3=C2CCCC3 |
Product Overview
4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one (CAS 898450-46-9), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: 4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
Chemical Property Profile of 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
Property Insights of 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one
The XLogP value of 2.6323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one. Following Lipinski's Rule of Five, 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one has 1 hydrogen bond donor(s) and 5 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-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The CAS number of 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is 898450-46-9.
What is the molecular formula of 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The molecular formula of 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is C17H18N2O3S.
What is the molecular weight of 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
The molecular weight of 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one is 330.10 g/mol.
Where can I buy 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
You can request a quote for 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinazolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.