DTTC iodide
TL;DR: DTTC iodide (CAS 3071-70-3) is a chemical compound with molecular formula C25H25IN2S2 and molecular weight 544.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide
Also Known As: DTTC iodide, DTTCI, 3,3'-Diethylthiatricarbocyanine iodide, 3,3'-Diethylthiatricarbocyanineiodide, 3,3'-Diethylthiatricarbocyanine Iodide, inverted exclamation markO98%
| Molecular Formula | C25H25IN2S2 |
|---|---|
| Molecular Weight | 544.05 g/mol |
| LogP | 3.81 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.0504 |
| Heavy Atoms | 30 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 3071-70-3 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-] |
| InChIKey | OYVFJKVYVDYPFV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DTTC iodide (CAS 3071-70-3), with molecular formula C25H25IN2S2 and molecular weight 544.05 g/mol. IUPAC: 3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of DTTC iodide
Property Insights of DTTC iodide
The XLogP value of 3.81 indicates that DTTC iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for DTTC iodide. Following Lipinski's Rule of Five, DTTC iodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DTTC iodide?
The CAS number of DTTC iodide is 3071-70-3.
What is the molecular formula of DTTC iodide?
The molecular formula of DTTC iodide is C25H25IN2S2.
What is the molecular weight of DTTC iodide?
The molecular weight of DTTC iodide is 544.05 g/mol.
Where can I buy DTTC iodide?
You can request a quote for DTTC iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DTTC iodide?
Yes, KEHONG BIO provides custom synthesis services for DTTC iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.