Trantelinium bromide
TL;DR: Trantelinium bromide (CAS 4047-34-1) is a chemical compound with molecular formula C23H26BrNO3 and molecular weight 443.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Trantelinium bromide
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate bromide
Also Known As: Trantelinium bromide, Dexotropine, Gastrixon, Gastrixone, Trantelinium
| Molecular Formula | C23H26BrNO3 |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 1.24 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.10962 |
| Heavy Atoms | 28 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 4047-34-1 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C.[Br-] |
| InChIKey | TYLUYQCKBXQXDS-NDRUTXPUSA-M |
Product Overview
Trantelinium bromide (CAS 4047-34-1), with molecular formula C23H26BrNO3 and molecular weight 443.11 g/mol. IUPAC: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate bromide.
Chemical Property Profile of Trantelinium bromide
Property Insights of Trantelinium bromide
The XLogP value of 1.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trantelinium bromide. With a topological polar surface area (TPSA) of 35.5 Ų, Trantelinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trantelinium bromide 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 Trantelinium bromide?
The CAS number of Trantelinium bromide is 4047-34-1.
What is the molecular formula of Trantelinium bromide?
The molecular formula of Trantelinium bromide is C23H26BrNO3.
What is the molecular weight of Trantelinium bromide?
The molecular weight of Trantelinium bromide is 443.11 g/mol.
Where can I buy Trantelinium bromide?
You can request a quote for Trantelinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trantelinium bromide?
Yes, KEHONG BIO provides custom synthesis services for Trantelinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.