5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile
TL;DR: 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile (CAS 337496-79-4) is a chemical compound with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile
Also Known As: 5-chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile, 5-chloro-4-methyl-6-phenoxy-pyrimidine-2-carbonitrile
| Molecular Formula | C12H8ClN3O |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 3.1024 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.03558 |
| Heavy Atoms | 17 |
| Complexity | 578.29486 |
Chemical Identifiers
| CAS Number | 337496-79-4 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)C#N)OC2=CC=CC=C2)Cl |
Product Overview
5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile (CAS 337496-79-4), with molecular formula C12H8ClN3O and molecular weight 245.04 g/mol. IUPAC: 5-chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile.
Chemical Property Profile of 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile
Property Insights of 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile
The XLogP value of 3.1024 indicates that 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile has 0 hydrogen bond donor(s) and 4 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 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile?
The CAS number of 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile is 337496-79-4.
What is the molecular formula of 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile?
The molecular formula of 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile is C12H8ClN3O.
What is the molecular weight of 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile?
The molecular weight of 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile is 245.04 g/mol.
Where can I buy 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile?
You can request a quote for 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.