1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
TL;DR: 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 831229-33-5) is a chemical compound with molecular formula C18H20N2OS and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyphenyl)-1-prop-2-enyl-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, F1738-0012, 2-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-1,4,5,6,7,8-hexahydroquinazoline-4-thione, 2-(3-methoxyphenyl)-1-prop-2-enyl-5,6,7,8-tetrahydroquinazoline-4-thione, 2-(3-methoxyphenyl)-1-prop-2-enyl-1,5,6,7,8-pentahydroquinazoline-4-thione
| Molecular Formula | C18H20N2OS |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 4.35299 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.12964 |
| Heavy Atoms | 22 |
| Complexity | 764.16785 |
Chemical Identifiers
| CAS Number | 831229-33-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NC(=S)C3=C(N2CC=C)CCCC3 |
Product Overview
1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 831229-33-5), with molecular formula C18H20N2OS and molecular weight 312.13 g/mol. IUPAC: 2-(3-methoxyphenyl)-1-prop-2-enyl-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Property Insights of 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
The XLogP value of 4.35299 indicates that 1-allyl-2-(3-methoxyphenyl)-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 27.05 Ų, 1-allyl-2-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione 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 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The CAS number of 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 831229-33-5.
What is the molecular formula of 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular formula of 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is C18H20N2OS.
What is the molecular weight of 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular weight of 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 312.13 g/mol.
Where can I buy 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
You can request a quote for 1-allyl-2-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.