Rocastine
TL;DR: Rocastine (CAS 91833-49-7) is a chemical compound with molecular formula C13H19N3OS and molecular weight 265.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione
Also Known As: Rocastine, Rocastina, Rocastinum, Rocastine [INN], Rocastinum [Latin]
| Molecular Formula | C13H19N3OS |
|---|---|
| Molecular Weight | 265.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.12488 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 91833-49-7 |
|---|---|
| SMILES | CN1CC(OC2=C(C1=S)C=CC=N2)CCN(C)C |
| InChIKey | DPPDPATYPQFYDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rocastine (CAS 91833-49-7), with molecular formula C13H19N3OS and molecular weight 265.12 g/mol. IUPAC: 2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione.
Chemical Property Profile of Rocastine
Property Insights of Rocastine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rocastine. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Rocastine. Following Lipinski's Rule of Five, Rocastine 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 Rocastine?
The CAS number of Rocastine is 91833-49-7.
What is the molecular formula of Rocastine?
The molecular formula of Rocastine is C13H19N3OS.
What is the molecular weight of Rocastine?
The molecular weight of Rocastine is 265.12 g/mol.
Where can I buy Rocastine?
You can request a quote for Rocastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rocastine?
Yes, KEHONG BIO provides custom synthesis services for Rocastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.