AR-196/42727439
TL;DR: AR-196/42727439 (CAS 708998-90-7) is a chemical compound with molecular formula C20H19BrF2N4O2S and molecular weight 496.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AR-196/42727439, N-(2-bromo-4,6-difluorophenyl)-2-({5-[(2,3-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(2-bromo-4,6-difluorophenyl)-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H19BrF2N4O2S |
|---|---|
| Molecular Weight | 496.04 g/mol |
| LogP | 4.78244 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.03802 |
| Heavy Atoms | 30 |
| Complexity | 1067.6587 |
Chemical Identifiers
| CAS Number | 708998-90-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3Br)F)F)C |
Product Overview
AR-196/42727439 (CAS 708998-90-7), with molecular formula C20H19BrF2N4O2S and molecular weight 496.04 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AR-196/42727439
Property Insights of AR-196/42727439
The XLogP value of 4.78244 indicates that AR-196/42727439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AR-196/42727439. Following Lipinski's Rule of Five, AR-196/42727439 has 1 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 AR-196/42727439?
The CAS number of AR-196/42727439 is 708998-90-7.
What is the molecular formula of AR-196/42727439?
The molecular formula of AR-196/42727439 is C20H19BrF2N4O2S.
What is the molecular weight of AR-196/42727439?
The molecular weight of AR-196/42727439 is 496.04 g/mol.
Where can I buy AR-196/42727439?
You can request a quote for AR-196/42727439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-196/42727439?
Yes, KEHONG BIO provides custom synthesis services for AR-196/42727439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.