RefChem:377525
TL;DR: RefChem:377525 (CAS 141079-11-0) is a chemical compound with molecular formula C21H18ClN5O and molecular weight 391.12 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[(4-chloro-3-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrimidine
Also Known As: Pyrimidine, 2-(5-((4-chloro-3-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-, 2-(5-((4-Chloro-3-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)pyrimidine, 2-[5-[(4-chloro-3-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrimidine, 2-{5-[(4-Chloro-3-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyrimidine
Technical Specifications
| Molecular Formula | C21H18ClN5O |
| Molecular Weight | 391.12 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.12 Da |
| Heavy Atoms | 28 |
| Complexity | 483.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2C3=NC=CC=N3)COC4=CC(=C(C=C4)Cl)C |
| InChIKey | QJSVWMYHMYFUOD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:377525
Property Insights of RefChem:377525
The XLogP value of 3.9 indicates that RefChem:377525 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377525. Following Lipinski's Rule of Five, RefChem:377525 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
What is the CAS number of RefChem:377525?
The CAS number of RefChem:377525 is 141079-11-0.
What is the molecular formula of RefChem:377525?
The molecular formula of RefChem:377525 is C21H18ClN5O.
What is the molecular weight of RefChem:377525?
The molecular weight of RefChem:377525 is 391.12 g/mol.
Where can I buy RefChem:377525?
You can request a quote for RefChem:377525 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:377525?
Yes, CoreyChem provides custom synthesis services for RefChem:377525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.