Setastine
TL;DR: Setastine (CAS 64294-95-7) is a chemical compound with molecular formula C22H28ClNO and molecular weight 357.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]azepane
Also Known As: Setastine, Setastinum, Setastina, Setastine [INN], Eptifibatide
| Molecular Formula | C22H28ClNO |
|---|---|
| Molecular Weight | 357.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.18594 |
| Heavy Atoms | 25 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 64294-95-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN3CCCCCC3 |
| InChIKey | VBSPHZOBAOWFCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Setastine (CAS 64294-95-7), with molecular formula C22H28ClNO and molecular weight 357.19 g/mol. IUPAC: 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]azepane.
Chemical Property Profile of Setastine
Property Insights of Setastine
The XLogP value of 5.3 indicates that Setastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Setastine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Setastine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Setastine?
The CAS number of Setastine is 64294-95-7.
What is the molecular formula of Setastine?
The molecular formula of Setastine is C22H28ClNO.
What is the molecular weight of Setastine?
The molecular weight of Setastine is 357.19 g/mol.
Where can I buy Setastine?
You can request a quote for Setastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Setastine?
Yes, KEHONG BIO provides custom synthesis services for Setastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.