匹维溴铵
TL;DR: 匹维溴铵 (CAS 53251-94-8) is a chemical compound with molecular formula C26H41Br2NO4 and molecular weight 589.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
匹维溴铵
4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium bromide
Also Known As: PINAVERIUM BROMIDE, Dicetel, Pinaverii bromidum, Bromuro de pinaverio, Bromure de pinaverium
| Molecular Formula | C26H41Br2NO4 |
|---|---|
| Molecular Weight | 589.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 591.1382 |
| Heavy Atoms | 33 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 53251-94-8 |
|---|---|
| SMILES | CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-] |
| InChIKey | IKGXLCMLVINENI-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
匹维溴铵 (CAS 53251-94-8), with molecular formula C26H41Br2NO4 and molecular weight 589.14 g/mol. IUPAC: 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium bromide.
Chemical Property Profile of 匹维溴铵
Property Insights of 匹维溴铵
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 匹维溴铵. With a topological polar surface area (TPSA) of 36.9 Ų, 匹维溴铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 匹维溴铵 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 匹维溴铵?
The CAS number of 匹维溴铵 is 53251-94-8.
What is the molecular formula of 匹维溴铵?
The molecular formula of 匹维溴铵 is C26H41Br2NO4.
What is the molecular weight of 匹维溴铵?
The molecular weight of 匹维溴铵 is 589.14 g/mol.
Where can I buy 匹维溴铵?
You can request a quote for 匹维溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 匹维溴铵?
Yes, KEHONG BIO provides custom synthesis services for 匹维溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.