5-丁基菲啶鎓溴化物
TL;DR: 5-丁基菲啶鎓溴化物 (CAS 118664-90-7) is a chemical compound with molecular formula C17H18BrN and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-丁基菲啶鎓溴化物
5-butylphenanthridin-5-ium bromide
Also Known As: 5-Butyl phenanthridinium bromide, 5-butylphenanthridin-5-ium bromide
| Molecular Formula | C17H18BrN |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 1.0846 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.06226 |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 118664-90-7 |
|---|---|
| SMILES | CCCC[N+]1=CC2=CC=CC=C2C3=CC=CC=C31.[Br-] |
| InChIKey | WFFFEDIRUHQPBG-UHFFFAOYSA-M |
Product Overview
5-丁基菲啶鎓溴化物 (CAS 118664-90-7), with molecular formula C17H18BrN and molecular weight 315.06 g/mol. IUPAC: 5-butylphenanthridin-5-ium bromide.
Chemical Property Profile of 5-丁基菲啶鎓溴化物
Property Insights of 5-丁基菲啶鎓溴化物
The XLogP value of 1.0846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-丁基菲啶鎓溴化物. With a topological polar surface area (TPSA) of 3.9 Ų, 5-丁基菲啶鎓溴化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-丁基菲啶鎓溴化物 has 0 hydrogen bond donor(s) and 1 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 5-丁基菲啶鎓溴化物?
The CAS number of 5-丁基菲啶鎓溴化物 is 118664-90-7.
What is the molecular formula of 5-丁基菲啶鎓溴化物?
The molecular formula of 5-丁基菲啶鎓溴化物 is C17H18BrN.
What is the molecular weight of 5-丁基菲啶鎓溴化物?
The molecular weight of 5-丁基菲啶鎓溴化物 is 315.06 g/mol.
Where can I buy 5-丁基菲啶鎓溴化物?
You can request a quote for 5-丁基菲啶鎓溴化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-丁基菲啶鎓溴化物?
Yes, KEHONG BIO provides custom synthesis services for 5-丁基菲啶鎓溴化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.