3,3'-二丙基硫杂二羰花青碘化物
TL;DR: 3,3'-二丙基硫杂二羰花青碘化物 (CAS 53213-94-8) is a chemical compound with molecular formula C25H27IN2S2 and molecular weight 546.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-二丙基硫杂二羰花青碘化物
3-propyl-2-[5-(3-propyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide
Also Known As: Dptdci, 3,3'-Dipropylthiadicarbocyanine iodide, Disc3(5), Dis C3-(5), 3,3'-Dipropylthiacarbocyanine iodide
| Molecular Formula | C25H27IN2S2 |
|---|---|
| Molecular Weight | 546.07 g/mol |
| LogP | 4.04 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.06604 |
| Heavy Atoms | 30 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 53213-94-8 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCC.[I-] |
| InChIKey | GDEURKKLNUGTDA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-二丙基硫杂二羰花青碘化物 (CAS 53213-94-8), with molecular formula C25H27IN2S2 and molecular weight 546.07 g/mol. IUPAC: 3-propyl-2-[5-(3-propyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of 3,3'-二丙基硫杂二羰花青碘化物
Property Insights of 3,3'-二丙基硫杂二羰花青碘化物
The XLogP value of 4.04 indicates that 3,3'-二丙基硫杂二羰花青碘化物 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 3,3'-二丙基硫杂二羰花青碘化物. Following Lipinski's Rule of Five, 3,3'-二丙基硫杂二羰花青碘化物 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 3,3'-二丙基硫杂二羰花青碘化物?
The CAS number of 3,3'-二丙基硫杂二羰花青碘化物 is 53213-94-8.
What is the molecular formula of 3,3'-二丙基硫杂二羰花青碘化物?
The molecular formula of 3,3'-二丙基硫杂二羰花青碘化物 is C25H27IN2S2.
What is the molecular weight of 3,3'-二丙基硫杂二羰花青碘化物?
The molecular weight of 3,3'-二丙基硫杂二羰花青碘化物 is 546.07 g/mol.
Where can I buy 3,3'-二丙基硫杂二羰花青碘化物?
You can request a quote for 3,3'-二丙基硫杂二羰花青碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-二丙基硫杂二羰花青碘化物?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-二丙基硫杂二羰花青碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.