1W-0896
TL;DR: 1W-0896 (CAS 861206-44-2) is a chemical compound with molecular formula C19H21N3O4 and molecular weight 355.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one
Also Known As: 1W-0896, 4-(2,4-dimethoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-(2,4-dimethoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one, 4-(2,4-dimethoxyphenyl)-3-methyl-1-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C19H21N3O4 |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 2.43862 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.1532 |
| Heavy Atoms | 26 |
| Complexity | 931.70245 |
Chemical Identifiers
| CAS Number | 861206-44-2 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=C(C=C(C=C2)OC)OC)CCOC3=CC=CC=C3 |
Product Overview
1W-0896 (CAS 861206-44-2), with molecular formula C19H21N3O4 and molecular weight 355.15 g/mol. IUPAC: 4-(2,4-dimethoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 1W-0896
Property Insights of 1W-0896
The XLogP value of 2.43862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1W-0896. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1W-0896. Following Lipinski's Rule of Five, 1W-0896 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 1W-0896?
The CAS number of 1W-0896 is 861206-44-2.
What is the molecular formula of 1W-0896?
The molecular formula of 1W-0896 is C19H21N3O4.
What is the molecular weight of 1W-0896?
The molecular weight of 1W-0896 is 355.15 g/mol.
Where can I buy 1W-0896?
You can request a quote for 1W-0896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1W-0896?
Yes, KEHONG BIO provides custom synthesis services for 1W-0896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.