RefChem:164699
TL;DR: RefChem:164699 (CAS 16470-42-1) is a chemical compound with molecular formula C22H20N2O3S2 and molecular weight 424.09152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Naphtho[1,2-d]thiazolium, 2-[2-(phenylamino)ethenyl]-1-(3-sulfopropyl)-, inner salt
3-[2-(2-anilinoethenyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
Also Known As: Naphtho[1,2-d]thiazolium, 2-[2-(phenylamino)ethenyl]-1-(3-sulfopropyl)-, inner salt, 3-[2-(2-anilinoethenyl)benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate, Naphtho(1,2-d)thiazolium, 2-(2-(phenylamino)ethenyl)-1-(3-sulfopropyl)-, inner salt, 2-(2-(Phenylamino)vinyl)-1-(3-sulphonatopropyl)naphtho(1,2-d)thiazolium, 2-[2-(Phenylamino)vinyl]-1-(3-sulfonatopropyl)naphtho[1,2-d]thiazolium
Technical Specifications
| Molecular Formula | C22H20N2O3S2 |
| Molecular Weight | 424.09152 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.09152 Da |
| Heavy Atoms | 29 |
| Complexity | 644.0 |
| SMILES | C1=CC=C(C=C1)NC=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CCCS(=O)(=O)[O-] |
| InChIKey | UMIOJVMUXCGWLB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:164699
Property Insights of RefChem:164699
The XLogP value of 4.9 indicates that RefChem:164699 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:164699. Following Lipinski's Rule of Five, RefChem:164699 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:164699?
The CAS number of RefChem:164699 is 16470-42-1.
What is the molecular formula of RefChem:164699?
The molecular formula of RefChem:164699 is C22H20N2O3S2.
What is the molecular weight of RefChem:164699?
The molecular weight of RefChem:164699 is 424.09152 g/mol.
Where can I buy RefChem:164699?
You can request a quote for RefChem:164699 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:164699?
Yes, CoreyChem provides custom synthesis services for RefChem:164699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.