(8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
TL;DR: (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione (CAS 685130-45-4) is a chemical compound with molecular formula C26H30N2O4S and molecular weight 466.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-6-methyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione
Also Known As: (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, (8E)-4-(3,4-DIMETHOXYPHENYL)-8-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-6-METHYL-1,2,3,4,5,6,7,8-OCTAHYDROQUINAZOLINE-2-THIONE, (8E)-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-6-methyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione, (E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
| Molecular Formula | C26H30N2O4S |
|---|---|
| Molecular Weight | 466.19 g/mol |
| LogP | 5.0074 |
| Topological Polar Surface Area | 60.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.19263 |
| Heavy Atoms | 33 |
| Complexity | 1125.2701 |
Chemical Identifiers
| CAS Number | 685130-45-4 |
|---|---|
| SMILES | CC1C/C(=C\C2=CC(=C(C=C2)OC)OC)/C3=C(C1)C(NC(=S)N3)C4=CC(=C(C=C4)OC)OC |
Product Overview
(8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione (CAS 685130-45-4), with molecular formula C26H30N2O4S and molecular weight 466.19 g/mol. IUPAC: (8E)-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-6-methyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione.
Chemical Property Profile of (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
Property Insights of (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
The XLogP value of 5.0074 indicates that (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-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)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione. Following Lipinski's Rule of Five, (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
The CAS number of (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione is 685130-45-4.
What is the molecular formula of (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
The molecular formula of (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione is C26H30N2O4S.
What is the molecular weight of (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
The molecular weight of (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione is 466.19 g/mol.
Where can I buy (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
You can request a quote for (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-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 (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for (8E)-8-(3,4-dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-6-methyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.