ChemDiv1_007110
TL;DR: ChemDiv1_007110 (CAS 361199-71-5) is a chemical compound with molecular formula C22H24F3N3O5S and molecular weight 499.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperazine-1-carboxylate
Also Known As: ChemDiv1_007110, AO-081/15386645, ethyl 4-{[(phenylsulfonyl)-3-(trifluoromethyl)anilino]acetyl}-1-piperazinecarboxylate, ethyl 4-{N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycyl}piperazine-1-carboxylate, ethyl 4-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperazine-1-carboxylate
| Molecular Formula | C22H24F3N3O5S |
|---|---|
| Molecular Weight | 499.14 g/mol |
| LogP | 3.2014 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.1389 |
| Heavy Atoms | 34 |
| Complexity | 1118.1051 |
Chemical Identifiers
| CAS Number | 361199-71-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv1_007110 (CAS 361199-71-5), with molecular formula C22H24F3N3O5S and molecular weight 499.14 g/mol. IUPAC: ethyl 4-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_007110
Property Insights of ChemDiv1_007110
The XLogP value of 3.2014 indicates that ChemDiv1_007110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007110. Following Lipinski's Rule of Five, ChemDiv1_007110 has 0 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 ChemDiv1_007110?
The CAS number of ChemDiv1_007110 is 361199-71-5.
What is the molecular formula of ChemDiv1_007110?
The molecular formula of ChemDiv1_007110 is C22H24F3N3O5S.
What is the molecular weight of ChemDiv1_007110?
The molecular weight of ChemDiv1_007110 is 499.14 g/mol.
Where can I buy ChemDiv1_007110?
You can request a quote for ChemDiv1_007110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007110?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.