HDITC perchlorate
TL;DR: HDITC perchlorate (CAS 23178-67-8) is a chemical compound with molecular formula C37H37ClN2O4 and molecular weight 608.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate
Also Known As: HDITC perchlorate, 1,1,3-Trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole;perchlorate, 2-(7-(1,3-Dihydro-1,1,3-trimethyl-2H-benz(e)indol-2-ylidene)hepta-1,3,5-trienyl)-1,1,3-trimethyl-1H-benz(e)indolium perchlorate, 1,1',3,3,3',3'-Hexamethyl-4,4',5,5'-di-benzo-2,2'-indotricarbocyanine, 1,1',3,3,3',3'-4,4',5,5'-di-benzo-2,2'-indotricarbocyanine perchlorate
| Molecular Formula | C37H37ClN2O4 |
|---|---|
| Molecular Weight | 608.24 g/mol |
| LogP | 4.2231 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 608.2442 |
| Heavy Atoms | 44 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 23178-67-8 |
|---|---|
| SMILES | CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=CC=C4C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.[O-]Cl(=O)(=O)=O |
| InChIKey | QVHVXEVQPNDOFD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
HDITC perchlorate (CAS 23178-67-8), with molecular formula C37H37ClN2O4 and molecular weight 608.24 g/mol. IUPAC: 1,1,3-trimethyl-2-[7-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)hepta-2,4,6-trienylidene]benzo[e]indole perchlorate.
Chemical Property Profile of HDITC perchlorate
Property Insights of HDITC perchlorate
The XLogP value of 4.2231 indicates that HDITC perchlorate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for HDITC perchlorate. Following Lipinski's Rule of Five, HDITC perchlorate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of HDITC perchlorate?
The CAS number of HDITC perchlorate is 23178-67-8.
What is the molecular formula of HDITC perchlorate?
The molecular formula of HDITC perchlorate is C37H37ClN2O4.
What is the molecular weight of HDITC perchlorate?
The molecular weight of HDITC perchlorate is 608.24 g/mol.
Where can I buy HDITC perchlorate?
You can request a quote for HDITC perchlorate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HDITC perchlorate?
Yes, KEHONG BIO provides custom synthesis services for HDITC perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.