C17H23NO5S2
TL;DR: C17H23NO5S2 (CAS 65776-61-6) is a chemical compound with molecular formula C17H23NO5S2 and molecular weight 385.10178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(2-ethoxybut-1-enyl)-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: 3-[2-(2-ethoxybut-1-enyl)-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate, Benzothiazolium, 2-(2-ethoxy-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt, Benzothiazolium, 2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner salt, Anhydro-2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)benzothiazolium hydroxide, Benzothiazolium, 2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, hydroxide, inner salt
Technical Specifications
| Molecular Formula | C17H23NO5S2 |
| Molecular Weight | 385.10178 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 385.10178 Da |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])OCC |
| InChIKey | OCOQIXABQGDZEQ-UHFFFAOYSA-N |
Chemical Property Profile of C17H23NO5S2
Property Insights of C17H23NO5S2
The XLogP value of 3.2 indicates that C17H23NO5S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H23NO5S2. Following Lipinski's Rule of Five, C17H23NO5S2 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C17H23NO5S2?
The CAS number of C17H23NO5S2 is 65776-61-6.
What is the molecular formula of C17H23NO5S2?
The molecular formula of C17H23NO5S2 is C17H23NO5S2.
What is the molecular weight of C17H23NO5S2?
The molecular weight of C17H23NO5S2 is 385.10178 g/mol.
Where can I buy C17H23NO5S2?
You can request a quote for C17H23NO5S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C17H23NO5S2?
Yes, CoreyChem provides custom synthesis services for C17H23NO5S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.