5J-601S
TL;DR: 5J-601S (CAS 338956-22-2) is a chemical compound with molecular formula C18H17ClF3NO4S and molecular weight 435.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
Also Known As: 5J-601S, 3-[(2-chlorobenzyl)sulfonyl]-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide, 3-[(2-chlorophenyl)methanesulfonyl]-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide, 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
| Molecular Formula | C18H17ClF3NO4S |
|---|---|
| Molecular Weight | 435.05 g/mol |
| LogP | 3.6633 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.05188 |
| Heavy Atoms | 28 |
| Complexity | 957.54114 |
Chemical Identifiers
| CAS Number | 338956-22-2 |
|---|---|
| SMILES | CC(CS(=O)(=O)CC1=CC=CC=C1Cl)(C(=O)NC2=CC=C(C=C2)C(F)(F)F)O |
Product Overview
5J-601S (CAS 338956-22-2), with molecular formula C18H17ClF3NO4S and molecular weight 435.05 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfonyl]-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.
Chemical Property Profile of 5J-601S
Property Insights of 5J-601S
The XLogP value of 3.6633 indicates that 5J-601S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 5J-601S. Following Lipinski's Rule of Five, 5J-601S has 2 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 5J-601S?
The CAS number of 5J-601S is 338956-22-2.
What is the molecular formula of 5J-601S?
The molecular formula of 5J-601S is C18H17ClF3NO4S.
What is the molecular weight of 5J-601S?
The molecular weight of 5J-601S is 435.05 g/mol.
Where can I buy 5J-601S?
You can request a quote for 5J-601S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5J-601S?
Yes, KEHONG BIO provides custom synthesis services for 5J-601S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.