5,6,11,12,17,18-Hexahydrocyclononatriindole
TL;DR: 5,6,11,12,17,18-Hexahydrocyclononatriindole (CAS 6624-68-6) is a chemical compound with molecular formula C27H21N3 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4,6,8,13(21),14,16,18,24,26,28-dodecaene
Also Known As: HHCTI, 5,6,11,12,17,18-Hexahydrocyclononatriindole, 5,6,11,12,17,18-Hexahydrocyclonona tri-indole, 5,6,11,12,17,18-hexahydrocyclonona[1,2-b:4,5-b':7,8-b'']triindole, Hexahydrocyclononariindole, 5,6,11,12,17,18-
| Molecular Formula | C27H21N3 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 387.17355 |
| Heavy Atoms | 30 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 6624-68-6 |
|---|---|
| SMILES | C1C2=C(CC3=C(CC4=C1NC5=CC=CC=C45)NC6=CC=CC=C36)NC7=CC=CC=C27 |
| InChIKey | RJTQDPWAXDDRCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6,11,12,17,18-Hexahydrocyclononatriindole (CAS 6624-68-6), with molecular formula C27H21N3 and molecular weight 387.17 g/mol. IUPAC: 10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4,6,8,13(21),14,16,18,24,26,28-dodecaene.
Chemical Property Profile of 5,6,11,12,17,18-Hexahydrocyclononatriindole
Property Insights of 5,6,11,12,17,18-Hexahydrocyclononatriindole
The XLogP value of 6.3 indicates that 5,6,11,12,17,18-Hexahydrocyclononatriindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 5,6,11,12,17,18-Hexahydrocyclononatriindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,11,12,17,18-Hexahydrocyclononatriindole has 3 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 5,6,11,12,17,18-Hexahydrocyclononatriindole?
The CAS number of 5,6,11,12,17,18-Hexahydrocyclononatriindole is 6624-68-6.
What is the molecular formula of 5,6,11,12,17,18-Hexahydrocyclononatriindole?
The molecular formula of 5,6,11,12,17,18-Hexahydrocyclononatriindole is C27H21N3.
What is the molecular weight of 5,6,11,12,17,18-Hexahydrocyclononatriindole?
The molecular weight of 5,6,11,12,17,18-Hexahydrocyclononatriindole is 387.17 g/mol.
Where can I buy 5,6,11,12,17,18-Hexahydrocyclononatriindole?
You can request a quote for 5,6,11,12,17,18-Hexahydrocyclononatriindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,11,12,17,18-Hexahydrocyclononatriindole?
Yes, KEHONG BIO provides custom synthesis services for 5,6,11,12,17,18-Hexahydrocyclononatriindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.