4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione
TL;DR: 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione (CAS 65331-18-2) is a chemical compound with molecular formula C14H15ClN2S and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione
Also Known As: 4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione, 4-(4-chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione, 2(1H)-Quinazolinethione, 4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-, 2(1H)-Quinazolinethione,4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro, 4-(4-Chlorophenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
| Molecular Formula | C14H15ClN2S |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 3.6869 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.06445 |
| Heavy Atoms | 18 |
| Complexity | 507.0302 |
Chemical Identifiers
| CAS Number | 65331-18-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(NC(=S)N2)C3=CC=C(C=C3)Cl |
Product Overview
4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione (CAS 65331-18-2), with molecular formula C14H15ClN2S and molecular weight 278.06 g/mol. IUPAC: 4-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione.
Chemical Property Profile of 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione
Property Insights of 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione
The XLogP value of 3.6869 indicates that 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione has 2 hydrogen bond donor(s) and 1 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)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione?
The CAS number of 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione is 65331-18-2.
What is the molecular formula of 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione?
The molecular formula of 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione is C14H15ClN2S.
What is the molecular weight of 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione?
The molecular weight of 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione is 278.06 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione?
You can request a quote for 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione 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)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-1,3,4,5,6,7,8-heptahydroquinazoline-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.