4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline
TL;DR: 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline (CAS 95695-64-0) is a chemical compound with molecular formula C15H16N2S and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline
Also Known As: AF-399/10429040, 4-(methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline, 4-methylthio-2-phenyl-5,6,7,8-tetrahydroquinazoline, 4-methylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline
| Molecular Formula | C15H16N2S |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.10342 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 95695-64-0 |
|---|---|
| SMILES | CSC1=NC(=NC2=C1CCCC2)C3=CC=CC=C3 |
| InChIKey | KOHHEOHEAJTJHI-UHFFFAOYSA-N |
Product Overview
4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline (CAS 95695-64-0), with molecular formula C15H16N2S and molecular weight 256.10 g/mol. IUPAC: 4-methylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline.
Chemical Property Profile of 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline
Property Insights of 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline
The XLogP value of 3.9 indicates that 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline has 0 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-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The CAS number of 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline is 95695-64-0.
What is the molecular formula of 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The molecular formula of 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline is C15H16N2S.
What is the molecular weight of 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The molecular weight of 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline is 256.10 g/mol.
Where can I buy 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline?
You can request a quote for 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfanyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.