4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione
TL;DR: 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione (CAS 71834-45-2) is a chemical compound with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
Also Known As: 4-(4-chlorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione, 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione, 4-(4-chlorophenyl)-6-phenyl-1,2,3,4-tetrahydropyrimidine-2-thione, F1168-0056
| Molecular Formula | C16H13ClN2S |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 3.8999 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0488 |
| Heavy Atoms | 20 |
| Complexity | 649.9369 |
Chemical Identifiers
| CAS Number | 71834-45-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(NC(=S)N2)C3=CC=C(C=C3)Cl |
Product Overview
4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione (CAS 71834-45-2), with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol. IUPAC: 4-(4-chlorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione
Property Insights of 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione
The XLogP value of 3.8999 indicates that 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-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)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-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)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione?
The CAS number of 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione is 71834-45-2.
What is the molecular formula of 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione?
The molecular formula of 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione is C16H13ClN2S.
What is the molecular weight of 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione?
The molecular weight of 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione is 300.05 g/mol.
Where can I buy 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione?
You can request a quote for 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-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 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-6-phenyl-3,4-dihydropyrimidine-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.