Zepastine
TL;DR: Zepastine (CAS 28810-23-3) is a chemical compound with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-11-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
Also Known As: Zepastine, 6-methyl-11-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 3.5563 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 992.3464 |
Chemical Identifiers
| CAS Number | 28810-23-3 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC3C4=CC=CC=C4N(S(=O)(=O)C5=CC=CC=C35)C |
Product Overview
Zepastine (CAS 28810-23-3), with molecular formula C22H26N2O3S and molecular weight 398.17 g/mol. IUPAC: 6-methyl-11-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide.
Chemical Property Profile of Zepastine
Property Insights of Zepastine
The XLogP value of 3.5563 indicates that Zepastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, Zepastine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zepastine has 0 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 Zepastine?
The CAS number of Zepastine is 28810-23-3.
What is the molecular formula of Zepastine?
The molecular formula of Zepastine is C22H26N2O3S.
What is the molecular weight of Zepastine?
The molecular weight of Zepastine is 398.17 g/mol.
Where can I buy Zepastine?
You can request a quote for Zepastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zepastine?
Yes, KEHONG BIO provides custom synthesis services for Zepastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.