8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione
TL;DR: 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione (CAS 833488-23-6) is a chemical compound with molecular formula C21H18Cl2N2S and molecular weight 400.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
Also Known As: 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione, AA-504/34798004, (8E)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione, (8E)-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, (E)-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
| Molecular Formula | C21H18Cl2N2S |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | 6.0338 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.05676 |
| Heavy Atoms | 26 |
| Complexity | 898.6132 |
Chemical Identifiers
| CAS Number | 833488-23-6 |
|---|---|
| SMILES | C1C/C(=C\C2=CC=C(C=C2)Cl)/C3=C(C1)C(NC(=S)N3)C4=CC=C(C=C4)Cl |
Product Overview
8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione (CAS 833488-23-6), with molecular formula C21H18Cl2N2S and molecular weight 400.06 g/mol. IUPAC: (8E)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione.
Chemical Property Profile of 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione
Property Insights of 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione
The XLogP value of 6.0338 indicates that 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione?
The CAS number of 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione is 833488-23-6.
What is the molecular formula of 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione?
The molecular formula of 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione is C21H18Cl2N2S.
What is the molecular weight of 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione?
The molecular weight of 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione is 400.06 g/mol.
Where can I buy 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione?
You can request a quote for 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.