3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate
TL;DR: 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate (CAS 86879-81-4) is a chemical compound with molecular formula C17H18ClNO4 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trimethyl-1-phenylindol-1-ium perchlorate
Also Known As: 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate, 2,3,3-trimethyl-1-phenyl-indole Perchlorate, 2,3,3-trimethyl-1-phenylindol-1-ium perchlorate, 2,3,3-Trimethyl-1-phenyl-3H-indol-1-ium perchlorate
| Molecular Formula | C17H18ClNO4 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | -0.4826 |
| Topological Polar Surface Area | 95.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.09244 |
| Heavy Atoms | 23 |
| Complexity | 714.8733 |
Chemical Identifiers
| CAS Number | 86879-81-4 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C1(C)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O |
Product Overview
3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate (CAS 86879-81-4), with molecular formula C17H18ClNO4 and molecular weight 335.09 g/mol. IUPAC: 2,3,3-trimethyl-1-phenylindol-1-ium perchlorate.
Chemical Property Profile of 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate
Property Insights of 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate
The XLogP value of -0.4826 indicates that 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate. Following Lipinski's Rule of Five, 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate has 0 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 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate?
The CAS number of 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate is 86879-81-4.
What is the molecular formula of 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate?
The molecular formula of 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate is C17H18ClNO4.
What is the molecular weight of 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate?
The molecular weight of 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate is 335.09 g/mol.
Where can I buy 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate?
You can request a quote for 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate?
Yes, KEHONG BIO provides custom synthesis services for 3H-Indolium, 2,3,3-trimethyl-1-phenyl-, perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.