布托溴铵
TL;DR: 布托溴铵 (CAS 39013-88-2) is a chemical compound with molecular formula C28H38BrNO4 and molecular weight 531.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布托溴铵
[(1R,5S)-8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: butropium bromide, Coliopan, Bromuro de butropio, Bromure de butropium, n-(4-butoxybenzyl)atropine bromide
| Molecular Formula | C28H38BrNO4 |
|---|---|
| Molecular Weight | 531.20 g/mol |
| LogP | 1.8288 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 531.1984 |
| Heavy Atoms | 34 |
| Complexity | 890.38196 |
Chemical Identifiers
| CAS Number | 39013-88-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C[N+]2([C@@H]3CC[C@H]2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
Product Overview
布托溴铵 (CAS 39013-88-2), with molecular formula C28H38BrNO4 and molecular weight 531.20 g/mol. IUPAC: [(1R,5S)-8-[(4-butoxyphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of 布托溴铵
Property Insights of 布托溴铵
The XLogP value of 1.8288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 布托溴铵. With a topological polar surface area (TPSA) of 55.76 Ų, 布托溴铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 布托溴铵 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 布托溴铵?
The CAS number of 布托溴铵 is 39013-88-2.
What is the molecular formula of 布托溴铵?
The molecular formula of 布托溴铵 is C28H38BrNO4.
What is the molecular weight of 布托溴铵?
The molecular weight of 布托溴铵 is 531.20 g/mol.
Where can I buy 布托溴铵?
You can request a quote for 布托溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布托溴铵?
Yes, KEHONG BIO provides custom synthesis services for 布托溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.