Tranquo-Buscopan
TL;DR: Tranquo-Buscopan (CAS 78940-00-8) is a chemical compound with molecular formula C36H41BrClN3O6 and molecular weight 725.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate;7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;bromide
Also Known As: Tranquo-buscopan, 3-Oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, bromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-, mixt. with 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one, 9-butyl-7-{[(2s)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane bromide- 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one(1:1:1)
| Molecular Formula | C36H41BrClN3O6 |
|---|---|
| Molecular Weight | 725.19 g/mol |
| LogP | 1.6849 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 725.1867 |
| Heavy Atoms | 47 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 78940-00-8 |
|---|---|
| SMILES | CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O.[Br-] |
| InChIKey | ATGMDWUJNKJMKX-KQLUJJFISA-M |
Product Overview
Tranquo-Buscopan (CAS 78940-00-8), with molecular formula C36H41BrClN3O6 and molecular weight 725.19 g/mol. IUPAC: (9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate;7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;bromide.
Chemical Property Profile of Tranquo-Buscopan
Property Insights of Tranquo-Buscopan
The XLogP value of 1.6849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tranquo-Buscopan. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tranquo-Buscopan. Following Lipinski's Rule of Five, Tranquo-Buscopan has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tranquo-Buscopan?
The CAS number of Tranquo-Buscopan is 78940-00-8.
What is the molecular formula of Tranquo-Buscopan?
The molecular formula of Tranquo-Buscopan is C36H41BrClN3O6.
What is the molecular weight of Tranquo-Buscopan?
The molecular weight of Tranquo-Buscopan is 725.19 g/mol.
Where can I buy Tranquo-Buscopan?
You can request a quote for Tranquo-Buscopan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tranquo-Buscopan?
Yes, KEHONG BIO provides custom synthesis services for Tranquo-Buscopan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.