4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
TL;DR: 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one (CAS 223694-72-2) is a chemical compound with molecular formula C14H13BrN2OS and molecular weight 335.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
Also Known As: J1.109.416C, 4-(4-bromophenyl)-2-sulfanylidene-1,2,3,4,5,6,7,8-octahydroquinazolin-5-one, 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one, F0581-0476, 4-(4-bromophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
| Molecular Formula | C14H13BrN2OS |
|---|---|
| Molecular Weight | 335.99 g/mol |
| LogP | 2.975 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.9932 |
| Heavy Atoms | 19 |
| Complexity | 579.6137 |
Chemical Identifiers
| CAS Number | 223694-72-2 |
|---|---|
| SMILES | C1CC2=C(C(NC(=S)N2)C3=CC=C(C=C3)Br)C(=O)C1 |
Product Overview
4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one (CAS 223694-72-2), with molecular formula C14H13BrN2OS and molecular weight 335.99 g/mol. IUPAC: 4-(4-bromophenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one.
Chemical Property Profile of 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
Property Insights of 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one
The XLogP value of 2.975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one. With a topological polar surface area (TPSA) of 41.13 Ų, 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-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-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
The CAS number of 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one is 223694-72-2.
What is the molecular formula of 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
The molecular formula of 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one is C14H13BrN2OS.
What is the molecular weight of 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
The molecular weight of 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one is 335.99 g/mol.
Where can I buy 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
You can request a quote for 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-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-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.