CTK5E3578
TL;DR: CTK5E3578 (CAS 7691-71-6) is a chemical compound with molecular formula C25H28N2O3S3 and molecular weight 500.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate
Also Known As: 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium, 2-[3-(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)-2-METHYLPROP-1-ENYL]-5,6-DIMETHYL-3-(3-SULFONATOPROPYL)BENZOTHIAZOLIUM, 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
| Molecular Formula | C25H28N2O3S3 |
|---|---|
| Molecular Weight | 500.13 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.12622 |
| Heavy Atoms | 33 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 7691-71-6 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=C(C)C=C3N(C4=C(S3)C=C(C(=C4)C)C)CCCS(=O)(=O)[O-] |
| InChIKey | BCISOBKQMRFGRW-UHFFFAOYSA-N |
Product Overview
CTK5E3578 (CAS 7691-71-6), with molecular formula C25H28N2O3S3 and molecular weight 500.13 g/mol. IUPAC: 3-[2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate.
Chemical Property Profile of CTK5E3578
Property Insights of CTK5E3578
The XLogP value of 6.5 indicates that CTK5E3578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5E3578. Following Lipinski's Rule of Five, CTK5E3578 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5E3578?
The CAS number of CTK5E3578 is 7691-71-6.
What is the molecular formula of CTK5E3578?
The molecular formula of CTK5E3578 is C25H28N2O3S3.
What is the molecular weight of CTK5E3578?
The molecular weight of CTK5E3578 is 500.13 g/mol.
Where can I buy CTK5E3578?
You can request a quote for CTK5E3578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E3578?
Yes, KEHONG BIO provides custom synthesis services for CTK5E3578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.