1W-0891
TL;DR: 1W-0891 (CAS 861206-39-5) is a chemical compound with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-one
Also Known As: 1W-0891, 2-(4-chlorobenzyl)-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 2-[(4-chlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-one, 1-[(4-chlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C18H18ClN3O3 |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 3.06132 |
| Topological Polar Surface Area | 58.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.10367 |
| Heavy Atoms | 25 |
| Complexity | 945.1904 |
Chemical Identifiers
| CAS Number | 861206-39-5 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=C(C=C(C=C2)OC)OC)CC3=CC=C(C=C3)Cl |
Product Overview
1W-0891 (CAS 861206-39-5), with molecular formula C18H18ClN3O3 and molecular weight 359.10 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of 1W-0891
Property Insights of 1W-0891
The XLogP value of 3.06132 indicates that 1W-0891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.28 Ų, 1W-0891 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1W-0891 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 1W-0891?
The CAS number of 1W-0891 is 861206-39-5.
What is the molecular formula of 1W-0891?
The molecular formula of 1W-0891 is C18H18ClN3O3.
What is the molecular weight of 1W-0891?
The molecular weight of 1W-0891 is 359.10 g/mol.
Where can I buy 1W-0891?
You can request a quote for 1W-0891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1W-0891?
Yes, KEHONG BIO provides custom synthesis services for 1W-0891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.