1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
TL;DR: 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide (CAS 19764-96-6) is a chemical compound with molecular formula C29H33IN2 and molecular weight 536.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole iodide
Also Known As: Hexacyanine 3, HTC iodide, HIDC iodide, HITC iodide, HITCI
| Molecular Formula | C29H33IN2 |
|---|---|
| Molecular Weight | 536.17 g/mol |
| LogP | 3.68 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 536.1688 |
| Heavy Atoms | 32 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 19764-96-6 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[I-] |
| InChIKey | JKXWXYURKUEZHV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide (CAS 19764-96-6), with molecular formula C29H33IN2 and molecular weight 536.17 g/mol. IUPAC: 1,3,3-trimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole iodide.
Chemical Property Profile of 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
Property Insights of 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
The XLogP value of 3.68 indicates that 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide has 0 hydrogen bond donor(s) and 2 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',3,3,3',3'-Hexamethylindotricarbocyanine iodide?
The CAS number of 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide is 19764-96-6.
What is the molecular formula of 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide?
The molecular formula of 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide is C29H33IN2.
What is the molecular weight of 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide?
The molecular weight of 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide is 536.17 g/mol.
Where can I buy 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide?
You can request a quote for 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.