4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
TL;DR: 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one (CAS 223694-58-4) is a chemical compound with molecular formula C14H13ClN2OS and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
Also Known As: J1.109.413I, 4-(4-chlorophenyl)-2-sulfanylidene-1,2,3,4,5,6,7,8-octahydroquinazolin-5-one, F0581-0474, 4-(4-chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one, 4-(4-Chlorophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazoline-5(6H)-one
| Molecular Formula | C14H13ClN2OS |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 2.8659 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.0437 |
| Heavy Atoms | 19 |
| Complexity | 579.6137 |
Chemical Identifiers
| CAS Number | 223694-58-4 |
|---|---|
| SMILES | C1CC2=C(C(NC(=S)N2)C3=CC=C(C=C3)Cl)C(=O)C1 |
Product Overview
4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one (CAS 223694-58-4), with molecular formula C14H13ClN2OS and molecular weight 292.04 g/mol. IUPAC: 4-(4-chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
Property Insights of 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
The XLogP value of 2.8659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one. With a topological polar surface area (TPSA) of 41.13 Ų, 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one has 2 hydrogen bond donor(s) and 2 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-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one?
The CAS number of 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one is 223694-58-4.
What is the molecular formula of 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one?
The molecular formula of 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one is C14H13ClN2OS.
What is the molecular weight of 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one?
The molecular weight of 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one is 292.04 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one?
You can request a quote for 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.