5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine
TL;DR: 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine (CAS 344281-98-7) is a chemical compound with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-2-prop-2-ynylsulfanylpyrimidine
Also Known As: 5-(3-chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine, 5-(3-chlorophenyl)-2-(prop-2-yn-1-ylsulfanyl)pyrimidine, 7J-608S, 5-(3-chlorophenyl)-2-prop-2-ynylsulfanylpyrimidine, 5-(3-chlorophenyl)-2-prop-2-ynylsulfanyl-pyrimidine
| Molecular Formula | C13H9ClN2S |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 3.5223 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0175 |
| Heavy Atoms | 17 |
| Complexity | 546.09106 |
Chemical Identifiers
| CAS Number | 344281-98-7 |
|---|---|
| SMILES | C#CCSC1=NC=C(C=N1)C2=CC(=CC=C2)Cl |
Product Overview
5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine (CAS 344281-98-7), with molecular formula C13H9ClN2S and molecular weight 260.02 g/mol. IUPAC: 5-(3-chlorophenyl)-2-prop-2-ynylsulfanylpyrimidine.
Chemical Property Profile of 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine
Property Insights of 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine
The XLogP value of 3.5223 indicates that 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine 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 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine?
The CAS number of 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine is 344281-98-7.
What is the molecular formula of 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine?
The molecular formula of 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine is C13H9ClN2S.
What is the molecular weight of 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine?
The molecular weight of 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine is 260.02 g/mol.
Where can I buy 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine?
You can request a quote for 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-2-(2-propynylsulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.