1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole
TL;DR: 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole (CAS 120551-57-7) is a chemical compound with molecular formula C22H22N2 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-yl)-1,1,3-trimethyl-2,4-dihydrocyclopenta[b]indole
Also Known As: Sid 705753, 1,1,3-TITI, 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole, 3-(1H-Indol-3-yl)-1,1,3-trimethyl-1,2,3,4-tetrahydro-cyclopent(b)indole, 3-(1H-indol-3-yl)-1,1,3-trimethyl-2,4-dihydrocyclopenta[b]indole
| Molecular Formula | C22H22N2 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 31.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.17828 |
| Heavy Atoms | 24 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 120551-57-7 |
|---|---|
| SMILES | CC1(CC(C2=C1C3=CC=CC=C3N2)(C)C4=CNC5=CC=CC=C54)C |
| InChIKey | ZYVXSIBDWSNRFA-UHFFFAOYSA-N |
Product Overview
1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole (CAS 120551-57-7), with molecular formula C22H22N2 and molecular weight 314.18 g/mol. IUPAC: 3-(1H-indol-3-yl)-1,1,3-trimethyl-2,4-dihydrocyclopenta[b]indole.
Chemical Property Profile of 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole
Property Insights of 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole
The XLogP value of 5.7 indicates that 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.6 Ų, 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole has 2 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole?
The CAS number of 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole is 120551-57-7.
What is the molecular formula of 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole?
The molecular formula of 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole is C22H22N2.
What is the molecular weight of 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole?
The molecular weight of 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole is 314.18 g/mol.
Where can I buy 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole?
You can request a quote for 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.