Butylscopolamine bromide/Proglumide
TL;DR: Butylscopolamine bromide/Proglumide (CAS 76207-50-6) is a chemical compound with molecular formula C39H56BrN3O8 and molecular weight 773.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzamido-5-(dipropylamino)-5-oxopentanoic acid;(9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate;bromide
Also Known As: CR 242 B, Butylscopolamine bromide / Proglumide, Butylscopolamine bromide mixture with Proglumide, 3-Oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, bromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-, mixt. with (+-)-4-(benzoylamino)-5-(dipropylamino)-5-oxopentanoic acid
| Molecular Formula | C39H56BrN3O8 |
|---|---|
| Molecular Weight | 773.33 g/mol |
| LogP | 1.5354 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 773.3251 |
| Heavy Atoms | 51 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 76207-50-6 |
|---|---|
| SMILES | CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1.[Br-] |
| InChIKey | MYQNKJJUYRRVPC-UHFFFAOYSA-M |
Product Overview
Butylscopolamine bromide/Proglumide (CAS 76207-50-6), with molecular formula C39H56BrN3O8 and molecular weight 773.33 g/mol. IUPAC: 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid;(9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate;bromide.
Chemical Property Profile of Butylscopolamine bromide/Proglumide
Property Insights of Butylscopolamine bromide/Proglumide
The XLogP value of 1.5354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylscopolamine bromide/Proglumide. The TPSA of 146.0 Ų indicates high polarity, suggesting Butylscopolamine bromide/Proglumide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butylscopolamine bromide/Proglumide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butylscopolamine bromide/Proglumide?
The CAS number of Butylscopolamine bromide/Proglumide is 76207-50-6.
What is the molecular formula of Butylscopolamine bromide/Proglumide?
The molecular formula of Butylscopolamine bromide/Proglumide is C39H56BrN3O8.
What is the molecular weight of Butylscopolamine bromide/Proglumide?
The molecular weight of Butylscopolamine bromide/Proglumide is 773.33 g/mol.
Where can I buy Butylscopolamine bromide/Proglumide?
You can request a quote for Butylscopolamine bromide/Proglumide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylscopolamine bromide/Proglumide?
Yes, KEHONG BIO provides custom synthesis services for Butylscopolamine bromide/Proglumide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.