4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile
TL;DR: 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile (CAS 370840-55-4) is a chemical compound with molecular formula C12H15ClN4S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-(azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile, 4-(azepan-1-yl)-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
| Molecular Formula | C12H15ClN4S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 3.10398 |
| Topological Polar Surface Area | 52.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0706 |
| Heavy Atoms | 18 |
| Complexity | 463.88058 |
Chemical Identifiers
| CAS Number | 370840-55-4 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C#N)N2CCCCCC2 |
Product Overview
4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile (CAS 370840-55-4), with molecular formula C12H15ClN4S and molecular weight 282.07 g/mol. IUPAC: 4-(azepan-1-yl)-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile
Property Insights of 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile
The XLogP value of 3.10398 indicates that 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.81 Ų, 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-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-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile?
The CAS number of 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile is 370840-55-4.
What is the molecular formula of 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile?
The molecular formula of 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile is C12H15ClN4S.
What is the molecular weight of 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile?
The molecular weight of 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile is 282.07 g/mol.
Where can I buy 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile?
You can request a quote for 4-(Azepan-1-yl)-6-chloro-2-(methylthio)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-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.