1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
TL;DR: 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 94875-12-4) is a chemical compound with molecular formula C21H20N2S and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione, 1-benzyl-2-phenyl-1,4,5,6,7,8-hexahydroquinazoline-4-thione, F0164-0030, 2-phenyl-1-benzyl-1,5,6,7,8-pentahydroquinazoline-4-thione
| Molecular Formula | C21H20N2S |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 47.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.1347 |
| Heavy Atoms | 24 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 94875-12-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2CC3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | VGGMYZQCWLEYNX-UHFFFAOYSA-N |
Product Overview
1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 94875-12-4), with molecular formula C21H20N2S and molecular weight 332.13 g/mol. IUPAC: 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Property Insights of 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
The XLogP value of 4.4 indicates that 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.7 Ų, 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione has 0 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 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The CAS number of 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 94875-12-4.
What is the molecular formula of 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular formula of 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is C21H20N2S.
What is the molecular weight of 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular weight of 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 332.13 g/mol.
Where can I buy 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
You can request a quote for 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.