C22H28F3NO4S
TL;DR: C22H28F3NO4S (CAS 1017789-86-4) is a chemical compound with molecular formula C22H28F3NO4S and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(1-adamantylsulfinylamino)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: ethyl 2-[4-(1-adamantylsulfinylamino)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate, ethyl 2-(4-((3s,5s,7s)-adamantane-1-sulfinamido)-3-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate, Ethyl 2-[4-(1-adamantylsulfinylamino)-3-methyl-phenyl]-3,3,3-trifluoro-2-hydroxy-propanoate, C22H28F3NO4S
| Molecular Formula | C22H28F3NO4S |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 4.35242 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.16913 |
| Heavy Atoms | 31 |
| Complexity | 867.94824 |
Chemical Identifiers
| CAS Number | 1017789-86-4 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=C(C=C1)NS(=O)C23CC4CC(C2)CC(C4)C3)C)(C(F)(F)F)O |
Product Overview
C22H28F3NO4S (CAS 1017789-86-4), with molecular formula C22H28F3NO4S and molecular weight 459.17 g/mol. IUPAC: ethyl 2-[4-(1-adamantylsulfinylamino)-3-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of C22H28F3NO4S
Property Insights of C22H28F3NO4S
The XLogP value of 4.35242 indicates that C22H28F3NO4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H28F3NO4S. Following Lipinski's Rule of Five, C22H28F3NO4S 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 C22H28F3NO4S?
The CAS number of C22H28F3NO4S is 1017789-86-4.
What is the molecular formula of C22H28F3NO4S?
The molecular formula of C22H28F3NO4S is C22H28F3NO4S.
What is the molecular weight of C22H28F3NO4S?
The molecular weight of C22H28F3NO4S is 459.17 g/mol.
Where can I buy C22H28F3NO4S?
You can request a quote for C22H28F3NO4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H28F3NO4S?
Yes, KEHONG BIO provides custom synthesis services for C22H28F3NO4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.