2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine
TL;DR: 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine (CAS 344282-01-5) is a chemical compound with molecular formula C13H11ClN2S and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-2-prop-2-enylsulfanylpyrimidine
Also Known As: 2-(allylsulfanyl)-5-(3-chlorophenyl)pyrimidine, 7J-609S, 5-(3-chlorophenyl)-2-prop-2-enylsulfanylpyrimidine, 5-(3-chlorophenyl)-2-prop-2-enylsulfanyl-pyrimidine, 5-(3-chlorophenyl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine
| Molecular Formula | C13H11ClN2S |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 4.0751 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.03314 |
| Heavy Atoms | 17 |
| Complexity | 511.08286 |
Chemical Identifiers
| CAS Number | 344282-01-5 |
|---|---|
| SMILES | C=CCSC1=NC=C(C=N1)C2=CC(=CC=C2)Cl |
Product Overview
2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine (CAS 344282-01-5), with molecular formula C13H11ClN2S and molecular weight 262.03 g/mol. IUPAC: 5-(3-chlorophenyl)-2-prop-2-enylsulfanylpyrimidine.
Chemical Property Profile of 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine
Property Insights of 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine
The XLogP value of 4.0751 indicates that 2-(Allylsulfanyl)-5-(3-chlorophenyl)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, 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylsulfanyl)-5-(3-chlorophenyl)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 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine?
The CAS number of 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine is 344282-01-5.
What is the molecular formula of 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine?
The molecular formula of 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine is C13H11ClN2S.
What is the molecular weight of 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine?
The molecular weight of 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine is 262.03 g/mol.
Where can I buy 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine?
You can request a quote for 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylsulfanyl)-5-(3-chlorophenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.