9R-1247
TL;DR: 9R-1247 (CAS 383146-76-7) is a chemical compound with molecular formula C19H16Cl2F3N3OS and molecular weight 461.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole
Also Known As: 9R-1247, 3-[(3,4-dichlorobenzyl)sulfanyl]-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole, 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole, 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-ethyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
| Molecular Formula | C19H16Cl2F3N3OS |
|---|---|
| Molecular Weight | 461.03 g/mol |
| LogP | 6.4949 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.03433 |
| Heavy Atoms | 29 |
| Complexity | 995.071 |
Chemical Identifiers
| CAS Number | 383146-76-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)COC3=CC=CC(=C3)C(F)(F)F |
Product Overview
9R-1247 (CAS 383146-76-7), with molecular formula C19H16Cl2F3N3OS and molecular weight 461.03 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazole.
Chemical Property Profile of 9R-1247
Property Insights of 9R-1247
The XLogP value of 6.4949 indicates that 9R-1247 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 9R-1247 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9R-1247 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9R-1247?
The CAS number of 9R-1247 is 383146-76-7.
What is the molecular formula of 9R-1247?
The molecular formula of 9R-1247 is C19H16Cl2F3N3OS.
What is the molecular weight of 9R-1247?
The molecular weight of 9R-1247 is 461.03 g/mol.
Where can I buy 9R-1247?
You can request a quote for 9R-1247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9R-1247?
Yes, KEHONG BIO provides custom synthesis services for 9R-1247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.