4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile
TL;DR: 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile (CAS 137447-07-5) is a chemical compound with molecular formula C10H6ClN3OS and molecular weight 250.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-(furan-2-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile, 4-chloro-6-(furan-2-yl)-2-(methylthio)pyrimidine-5-carbonitrile, 4-Chloro-6-furan-2-yl-2-methylsulfanylpyrimidine-5-carbonitrile, 4-chloro-6-(furan-2-yl)-2-methylsulfanylpyrimidine-5-carbonitrile, 2-methylthio-4-chloro-6-(2-furyl)-5-pyrimidine carbonitrile
| Molecular Formula | C10H6ClN3OS |
|---|---|
| Molecular Weight | 250.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.992 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 137447-07-5 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C#N)C2=CC=CO2 |
| InChIKey | ORQKYNZYPVDJGX-UHFFFAOYSA-N |
Product Overview
4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile (CAS 137447-07-5), with molecular formula C10H6ClN3OS and molecular weight 250.99 g/mol. IUPAC: 4-chloro-6-(furan-2-yl)-2-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile
Property Insights of 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile has 0 hydrogen bond donor(s) and 5 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-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile?
The CAS number of 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile is 137447-07-5.
What is the molecular formula of 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile?
The molecular formula of 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile is C10H6ClN3OS.
What is the molecular weight of 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile?
The molecular weight of 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile is 250.99 g/mol.
Where can I buy 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile?
You can request a quote for 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-(2-furyl)-2-methylsulfanylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.