1W-0883
TL;DR: 1W-0883 (CAS 861206-31-7) is a chemical compound with molecular formula C16H12ClF2N3O and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-4-(2,6-difluorophenyl)-5-methyl-1,2,4-triazol-3-one
Also Known As: 1W-0883, 2-(4-chlorobenzyl)-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 2-[(4-chlorophenyl)methyl]-4-(2,6-difluorophenyl)-5-methyl-1,2,4-triazol-3-one, 1-[(4-chlorophenyl)methyl]-4-(2,6-difluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C16H12ClF2N3O |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.32232 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.0637 |
| Heavy Atoms | 23 |
| Complexity | 895.81506 |
Chemical Identifiers
| CAS Number | 861206-31-7 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=C(C=CC=C2F)F)CC3=CC=C(C=C3)Cl |
Product Overview
1W-0883 (CAS 861206-31-7), with molecular formula C16H12ClF2N3O and molecular weight 335.06 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-4-(2,6-difluorophenyl)-5-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of 1W-0883
Property Insights of 1W-0883
The XLogP value of 3.32232 indicates that 1W-0883 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, 1W-0883 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1W-0883 has 0 hydrogen bond donor(s) and 2 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-0883?
The CAS number of 1W-0883 is 861206-31-7.
What is the molecular formula of 1W-0883?
The molecular formula of 1W-0883 is C16H12ClF2N3O.
What is the molecular weight of 1W-0883?
The molecular weight of 1W-0883 is 335.06 g/mol.
Where can I buy 1W-0883?
You can request a quote for 1W-0883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1W-0883?
Yes, KEHONG BIO provides custom synthesis services for 1W-0883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.