RefChem:164702
TL;DR: RefChem:164702 (CAS 16470-41-0) is a chemical compound with molecular formula C20H23NO4S2 and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-ethoxybut-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
Also Known As: 3-[2-(2-ethoxybut-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate, Naphtho(1,2-d)thiazolium, 2-(2-ethoxy-1-buten-1-yl)-1-(3-sulfopropyl)-, inner salt, Naphtho(1,2-d)thiazolium, 2-(2-ethoxy-1-butenyl)-1-(3-sulfopropyl)-, inner salt, 3-[2-(2-ethoxybut-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonic acid, 2-(2-Ethoxy-1-butenyl)-1-(3-sulfonatopropyl)naphtho[1,2-d]thiazolium
| Molecular Formula | C20H23NO4S2 |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.10684 |
| Heavy Atoms | 27 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 16470-41-0 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-])OCC |
| InChIKey | ZYECOWRNUCPBQN-UHFFFAOYSA-N |
Product Overview
RefChem:164702 (CAS 16470-41-0), with molecular formula C20H23NO4S2 and molecular weight 405.11 g/mol. IUPAC: 3-[2-(2-ethoxybut-1-enyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:164702
Property Insights of RefChem:164702
The XLogP value of 4.5 indicates that RefChem:164702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164702. Following Lipinski's Rule of Five, RefChem:164702 has 0 hydrogen bond donor(s) and 5 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:164702?
The CAS number of RefChem:164702 is 16470-41-0.
What is the molecular formula of RefChem:164702?
The molecular formula of RefChem:164702 is C20H23NO4S2.
What is the molecular weight of RefChem:164702?
The molecular weight of RefChem:164702 is 405.11 g/mol.
Where can I buy RefChem:164702?
You can request a quote for RefChem:164702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:164702?
Yes, KEHONG BIO provides custom synthesis services for RefChem:164702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.