Tersigat
TL;DR: Tersigat (CAS 30286-75-0) is a chemical compound with molecular formula C19H26BrNO4 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate bromide
Also Known As: oxitropium bromide, Tersigat, Ventilat, Oxivent, Oxitropium
| Molecular Formula | C19H26BrNO4 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | -1.54 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.10452 |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 30286-75-0 |
|---|---|
| SMILES | CC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
| InChIKey | LCELQERNWLBPSY-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tersigat (CAS 30286-75-0), with molecular formula C19H26BrNO4 and molecular weight 411.10 g/mol. IUPAC: (9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of Tersigat
Property Insights of Tersigat
The XLogP value of -1.54 indicates that Tersigat is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.1 Ų, Tersigat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tersigat has 1 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 Tersigat?
The CAS number of Tersigat is 30286-75-0.
What is the molecular formula of Tersigat?
The molecular formula of Tersigat is C19H26BrNO4.
What is the molecular weight of Tersigat?
The molecular weight of Tersigat is 411.10 g/mol.
Where can I buy Tersigat?
You can request a quote for Tersigat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tersigat?
Yes, KEHONG BIO provides custom synthesis services for Tersigat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.