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 Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, RefChem:377525
| Molecular Formula | C21H18ClN5O |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 4.57354 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.12 |
| Heavy Atoms | 28 |
| Complexity | 1093.7463 |
Chemical Identifiers
| CAS Number | 141079-11-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2C3=NC=CC=N3)COC4=CC(=C(C=C4)Cl)C |
Product Overview
RefChem:377525 (CAS 141079-11-0), with molecular formula C21H18ClN5O and molecular weight 391.12 g/mol. IUPAC: 2-[5-[(4-chloro-3-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrimidine.
Chemical Property Profile of RefChem:377525
Property Insights of RefChem:377525
The XLogP value of 4.57354 indicates that RefChem:377525 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.72 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
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377525?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.