Atropine octabromide
TL;DR: Atropine octabromide (CAS 5843-82-3) is a chemical compound with molecular formula C25H40BrNO3 and molecular weight 481.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide
Also Known As: Atropine octabromide, Atropine-N-octylbromide, Atropin-n-octylbromid, Atropine N-octyl bromide, N-Octylatropinium bromide
| Molecular Formula | C25H40BrNO3 |
|---|---|
| Molecular Weight | 481.22 g/mol |
| LogP | 1.81 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 481.21915 |
| Heavy Atoms | 30 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 5843-82-3 |
|---|---|
| SMILES | CCCCCCCC[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-] |
| InChIKey | DLZGOGBFEPLEJA-UHFFFAOYSA-M |
Product Overview
Atropine octabromide (CAS 5843-82-3), with molecular formula C25H40BrNO3 and molecular weight 481.22 g/mol. IUPAC: (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of Atropine octabromide
Property Insights of Atropine octabromide
The XLogP value of 1.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atropine octabromide. With a topological polar surface area (TPSA) of 46.5 Ų, Atropine octabromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Atropine octabromide has 1 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 Atropine octabromide?
The CAS number of Atropine octabromide is 5843-82-3.
What is the molecular formula of Atropine octabromide?
The molecular formula of Atropine octabromide is C25H40BrNO3.
What is the molecular weight of Atropine octabromide?
The molecular weight of Atropine octabromide is 481.22 g/mol.
Where can I buy Atropine octabromide?
You can request a quote for Atropine octabromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atropine octabromide?
Yes, KEHONG BIO provides custom synthesis services for Atropine octabromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.