4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
TL;DR: 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione (CAS 65331-17-1) is a chemical compound with molecular formula C14H16N2S and molecular weight 244.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione
Also Known As: 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, 4-Iodo-2,6-dinitrotoluene, 4-phenyl-1,2,3,4,5,6,7,8-octahydroquinazoline-2-thione, 4-phenyl-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione, J2.190.541K
| Molecular Formula | C14H16N2S |
|---|---|
| Molecular Weight | 244.10 g/mol |
| LogP | 3.0335 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.10342 |
| Heavy Atoms | 17 |
| Complexity | 464.37036 |
Chemical Identifiers
| CAS Number | 65331-17-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(NC(=S)N2)C3=CC=CC=C3 |
Product Overview
4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione (CAS 65331-17-1), with molecular formula C14H16N2S and molecular weight 244.10 g/mol. IUPAC: 4-phenyl-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione.
Chemical Property Profile of 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
Property Insights of 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
The XLogP value of 3.0335 indicates that 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione has 2 hydrogen bond donor(s) and 1 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-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
The CAS number of 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione is 65331-17-1.
What is the molecular formula of 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
The molecular formula of 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione is C14H16N2S.
What is the molecular weight of 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
The molecular weight of 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione is 244.10 g/mol.
Where can I buy 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
You can request a quote for 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.