RefChem:321451
TL;DR: RefChem:321451 (CAS 82608-06-8) is a chemical compound with molecular formula C22H26F3N3O4S and molecular weight 485.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-methylsulfonyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide
Also Known As: Benzamide, 2-methoxy-5-(methylsulfonyl)-N-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)-, N-(2-(4-(3-Trifluoromethylphenyl)-1-piperazinyl)ethyl)-2-methoxy-5-methylsulfonylbenzamide, 2-methoxy-5-methylsulfonyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide, BENZAMIDE, 2-METHOXY-5-(METHYLSULFONYL)-N-(2-(4-(alpha,alpha,alpha-TRIFLUORO-m-T, 2-Methoxy-5-(methylsulfonyl)-N-[2-[4-(3-trifluoromethylphenyl)-1-piperazinyl]ethyl]benzamide
| Molecular Formula | C22H26F3N3O4S |
|---|---|
| Molecular Weight | 485.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.1596 |
| Heavy Atoms | 33 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 82608-06-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | HAJTXSJCRLTGNH-UHFFFAOYSA-N |
Product Overview
RefChem:321451 (CAS 82608-06-8), with molecular formula C22H26F3N3O4S and molecular weight 485.16 g/mol. IUPAC: 2-methoxy-5-methylsulfonyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzamide.
Chemical Property Profile of RefChem:321451
Property Insights of RefChem:321451
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321451. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321451. Following Lipinski's Rule of Five, RefChem:321451 has 1 hydrogen bond donor(s) and 9 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 RefChem:321451?
The CAS number of RefChem:321451 is 82608-06-8.
What is the molecular formula of RefChem:321451?
The molecular formula of RefChem:321451 is C22H26F3N3O4S.
What is the molecular weight of RefChem:321451?
The molecular weight of RefChem:321451 is 485.16 g/mol.
Where can I buy RefChem:321451?
You can request a quote for RefChem:321451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321451?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.