(8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione
TL;DR: (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione (CAS 67533-94-2) is a chemical compound with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione
Also Known As: (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione, (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, (E)-4-(benzo[d][1,3]dioxol-5-yl)-8-(benzo[d][1,3]dioxol-5-ylmethylene)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
| Molecular Formula | C23H20N2O4S |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 4.1844 |
| Topological Polar Surface Area | 60.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.11438 |
| Heavy Atoms | 30 |
| Complexity | 1124.1814 |
Chemical Identifiers
| CAS Number | 67533-94-2 |
|---|---|
| SMILES | C1C/C(=C\C2=CC3=C(C=C2)OCO3)/C4=C(C1)C(NC(=S)N4)C5=CC6=C(C=C5)OCO6 |
Product Overview
(8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione (CAS 67533-94-2), with molecular formula C23H20N2O4S and molecular weight 420.11 g/mol. IUPAC: (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione.
Chemical Property Profile of (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione
Property Insights of (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione
The XLogP value of 4.1844 indicates that (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione. Following Lipinski's Rule of Five, (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione has 2 hydrogen bond donor(s) and 5 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 (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione?
The CAS number of (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione is 67533-94-2.
What is the molecular formula of (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione?
The molecular formula of (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione is C23H20N2O4S.
What is the molecular weight of (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione?
The molecular weight of (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione is 420.11 g/mol.
Where can I buy (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione?
You can request a quote for (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione?
Yes, KEHONG BIO provides custom synthesis services for (8E)-4-(1,3-benzodioxol-5-yl)-8-(1,3-benzodioxol-5-ylmethylidene)-1,3,4,5,6,7-hexahydroquinazoline-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.