![4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione structure](/static/products/6679/667908-56-7.webp)
4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
TL;DR: 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione (CAS 667908-56-7) is a chemical compound with molecular formula C19H16N2O2S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
Also Known As: 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione, J3.281.935D, 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione, AQ-090/41729050, 4-(2H-1,3-BENZODIOXOL-5-YL)-1H,2H,3H,4H,5H,6H-BENZO[H]QUINAZOLINE-2-THIONE
| Molecular Formula | C19H16N2O2S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 3.2916 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.09326 |
| Heavy Atoms | 24 |
| Complexity | 890.68555 |
Chemical Identifiers
| CAS Number | 667908-56-7 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)NC(=S)NC2C4=CC5=C(C=C4)OCO5 |
Product Overview
4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione (CAS 667908-56-7), with molecular formula C19H16N2O2S and molecular weight 336.09 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione.
Chemical Property Profile of 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
Property Insights of 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione
The XLogP value of 3.2916 indicates that 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione has 2 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-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
The CAS number of 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is 667908-56-7.
What is the molecular formula of 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
The molecular formula of 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is C19H16N2O2S.
What is the molecular weight of 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
The molecular weight of 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione is 336.09 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
You can request a quote for 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-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-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-yl)-3,4,5,6-tetrahydrobenzo[h]quinazoline-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.