4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-
TL;DR: 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- (CAS 89069-57-8) is a chemical compound with molecular formula C17H13ClN2OS and molecular weight 328.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-(2-chlorophenyl)pyrimidin-4-one
Also Known As: 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-, 3-(2-Chlorophenyl)-2-((phenylmethyl)thio)-4(3H)-pyrimidinone, 2-benzylsulfanyl-3-(2-chlorophenyl)pyrimidin-4-one, 2-(Benzylsulfanyl)-3-(2-chlorophenyl)pyrimidin-4(3H)-one, BRN 4512529
| Molecular Formula | C17H13ClN2OS |
|---|---|
| Molecular Weight | 328.04 g/mol |
| LogP | 4.1782 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0437 |
| Heavy Atoms | 22 |
| Complexity | 833.31757 |
Chemical Identifiers
| CAS Number | 89069-57-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=CC(=O)N2C3=CC=CC=C3Cl |
Product Overview
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- (CAS 89069-57-8), with molecular formula C17H13ClN2OS and molecular weight 328.04 g/mol. IUPAC: 2-benzylsulfanyl-3-(2-chlorophenyl)pyrimidin-4-one.
Chemical Property Profile of 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-
Property Insights of 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-
The XLogP value of 4.1782 indicates that 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- has 0 hydrogen bond donor(s) and 3 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(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-?
The CAS number of 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- is 89069-57-8.
What is the molecular formula of 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-?
The molecular formula of 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- is C17H13ClN2OS.
What is the molecular weight of 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-?
The molecular weight of 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- is 328.04 g/mol.
Where can I buy 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-?
You can request a quote for 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-((phenylmethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.