4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile
TL;DR: 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile (CAS 200626-36-4) is a chemical compound with molecular formula C12H9ClN4S and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-anilino-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile, 4-anilino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile, 4-chloro-2-(methylthio)-6-(phenylamino)-5-Pyrimidinecarbonitrile, 4-anilino-6-chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile, 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile
| Molecular Formula | C12H9ClN4S |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 3.46718 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.02365 |
| Heavy Atoms | 18 |
| Complexity | 595.01666 |
Chemical Identifiers
| CAS Number | 200626-36-4 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C#N)NC2=CC=CC=C2 |
Product Overview
4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile (CAS 200626-36-4), with molecular formula C12H9ClN4S and molecular weight 276.02 g/mol. IUPAC: 4-anilino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile
Property Insights of 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile
The XLogP value of 3.46718 indicates that 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile has 1 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-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile?
The CAS number of 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile is 200626-36-4.
What is the molecular formula of 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile?
The molecular formula of 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile is C12H9ClN4S.
What is the molecular weight of 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile?
The molecular weight of 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile is 276.02 g/mol.
Where can I buy 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile?
You can request a quote for 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-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-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methylsulfanyl-6-phenylamino-pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.