Kodak IR 140
TL;DR: Kodak IR 140 (CAS 53655-17-7) is a chemical compound with molecular formula C39H34Cl3N3O4S2 and molecular weight 777.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline perchlorate
Also Known As: Kodak IR 140, F9995-0254, 5,5'-Dichloro-11-diphenylamino-3,3'-diethyl-10,12-ethylenethiatricarbocyanine perchlorate, N-[2-[2-(5-Chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline;perchlorate, 5-chloro-2-((E)-2-((E)-3-((Z)-2-(5-chloro-3-ethylbenzo[d]thiazol-2(3H)-ylidene)ethylidene)-2-(diphenylamino)cyclopent-1-en-1-yl)vinyl)-3-ethylbenzo[d]thiazol-3-ium perchlorate
| Molecular Formula | C39H34Cl3N3O4S2 |
|---|---|
| Molecular Weight | 777.11 g/mol |
| LogP | 7.0589 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 777.10565 |
| Heavy Atoms | 51 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 53655-17-7 |
|---|---|
| SMILES | CCN1C2=C(C=CC(=C2)Cl)SC1=CC=C3CCC(=C3N(C4=CC=CC=C4)C5=CC=CC=C5)C=CC6=[N+](C7=C(S6)C=CC(=C7)Cl)CC.[O-]Cl(=O)(=O)=O |
| InChIKey | UVLDECUUBLLYRG-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Kodak IR 140 (CAS 53655-17-7), with molecular formula C39H34Cl3N3O4S2 and molecular weight 777.11 g/mol. IUPAC: N-[2-[2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline perchlorate.
Chemical Property Profile of Kodak IR 140
Property Insights of Kodak IR 140
The XLogP value of 7.0589 indicates that Kodak IR 140 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Kodak IR 140. Following Lipinski's Rule of Five, Kodak IR 140 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kodak IR 140?
The CAS number of Kodak IR 140 is 53655-17-7.
What is the molecular formula of Kodak IR 140?
The molecular formula of Kodak IR 140 is C39H34Cl3N3O4S2.
What is the molecular weight of Kodak IR 140?
The molecular weight of Kodak IR 140 is 777.11 g/mol.
Where can I buy Kodak IR 140?
You can request a quote for Kodak IR 140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kodak IR 140?
Yes, KEHONG BIO provides custom synthesis services for Kodak IR 140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.