1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
TL;DR: 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 848680-62-6) is a chemical compound with molecular formula C17H18N2S and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1-prop-2-enyl-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, 2-phenyl-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione, 2-phenyl-1-prop-2-enyl-5,6,7,8-tetrahydroquinazoline-4-thione, 1-Allyl-2-phenyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione, 2-phenyl-1-prop-2-enyl-1,5,6,7,8-pentahydroquinazoline-4-thione
| Molecular Formula | C17H18N2S |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 4.34439 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.11908 |
| Heavy Atoms | 20 |
| Complexity | 686.12646 |
Chemical Identifiers
| CAS Number | 848680-62-6 |
|---|---|
| SMILES | C=CCN1C2=C(CCCC2)C(=S)N=C1C3=CC=CC=C3 |
Product Overview
1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 848680-62-6), with molecular formula C17H18N2S and molecular weight 282.12 g/mol. IUPAC: 2-phenyl-1-prop-2-enyl-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Property Insights of 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
The XLogP value of 4.34439 indicates that 1-allyl-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 17.82 Ų, 1-allyl-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-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione has 0 hydrogen bond donor(s) and 2 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-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The CAS number of 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 848680-62-6.
What is the molecular formula of 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular formula of 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is C17H18N2S.
What is the molecular weight of 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular weight of 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 282.12 g/mol.
Where can I buy 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
You can request a quote for 1-allyl-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-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.