4-Chloro-6-phenylpyrimidine-5-carbonitrile
TL;DR: 4-Chloro-6-phenylpyrimidine-5-carbonitrile (CAS 40889-24-5) is a chemical compound with molecular formula C11H6ClN3 and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-phenylpyrimidine-5-carbonitrile
Also Known As: 4-Chloro-6-phenylpyrimidine-5-carbonitrile, 4-chloro-6-phenyl-5-pyrimidinecarbonitrile
| Molecular Formula | C11H6ClN3 |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 2.66868 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.02502 |
| Heavy Atoms | 15 |
| Complexity | 517.1014 |
Chemical Identifiers
| CAS Number | 40889-24-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=NC=N2)Cl)C#N |
Product Overview
4-Chloro-6-phenylpyrimidine-5-carbonitrile (CAS 40889-24-5), with molecular formula C11H6ClN3 and molecular weight 215.03 g/mol. IUPAC: 4-chloro-6-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Chloro-6-phenylpyrimidine-5-carbonitrile
Property Insights of 4-Chloro-6-phenylpyrimidine-5-carbonitrile
The XLogP value of 2.66868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-6-phenylpyrimidine-5-carbonitrile. With a topological polar surface area (TPSA) of 49.57 Ų, 4-Chloro-6-phenylpyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-phenylpyrimidine-5-carbonitrile 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 4-Chloro-6-phenylpyrimidine-5-carbonitrile?
The CAS number of 4-Chloro-6-phenylpyrimidine-5-carbonitrile is 40889-24-5.
What is the molecular formula of 4-Chloro-6-phenylpyrimidine-5-carbonitrile?
The molecular formula of 4-Chloro-6-phenylpyrimidine-5-carbonitrile is C11H6ClN3.
What is the molecular weight of 4-Chloro-6-phenylpyrimidine-5-carbonitrile?
The molecular weight of 4-Chloro-6-phenylpyrimidine-5-carbonitrile is 215.03 g/mol.
Where can I buy 4-Chloro-6-phenylpyrimidine-5-carbonitrile?
You can request a quote for 4-Chloro-6-phenylpyrimidine-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-phenylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-phenylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.