RefChem:897677
TL;DR: RefChem:897677 (CAS 3065-71-2) is a chemical compound with molecular formula C13H21IN2S2 and molecular weight 396.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-thiazolidine iodide
Also Known As: 3,3'-Diethylthiazolinocarbocyanine iodide, 3,3'-Diethylthiazolidinocarbocyanine iodide, 3,3'-Diethyl(thiazolinyl)carbocyanine iodide, 3-Ethyl-2-(3-(3-ethyl-2-thiazolidinylidene)-1-propenyl)-4,5-dihydrothiazolium iodide, Thiazolium, 3-ethyl-2-(3-(3-ethyl-2-thiazolidinylidene)-1-propenyl)-4,5-dihydro-, iodide
| Molecular Formula | C13H21IN2S2 |
|---|---|
| Molecular Weight | 396.02 g/mol |
| LogP | -0.37 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.0191 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 3065-71-2 |
|---|---|
| SMILES | CCN1CCSC1=CC=CC2=[N+](CCS2)CC.[I-] |
| InChIKey | GESKGLZQRFOWRW-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:897677 (CAS 3065-71-2), with molecular formula C13H21IN2S2 and molecular weight 396.02 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-thiazolidine iodide.
Chemical Property Profile of RefChem:897677
Property Insights of RefChem:897677
The XLogP value of -0.37 indicates that RefChem:897677 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.9 Ų, RefChem:897677 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:897677 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:897677?
The CAS number of RefChem:897677 is 3065-71-2.
What is the molecular formula of RefChem:897677?
The molecular formula of RefChem:897677 is C13H21IN2S2.
What is the molecular weight of RefChem:897677?
The molecular weight of RefChem:897677 is 396.02 g/mol.
Where can I buy RefChem:897677?
You can request a quote for RefChem:897677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:897677?
Yes, KEHONG BIO provides custom synthesis services for RefChem:897677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.