naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt
TL;DR: naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt (CAS 3176-77-0) is a chemical compound with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
Also Known As: 2-Methyl-1-(3-sulphonatopropyl)naphtho(1,2-d)thiazolium, 2-METHYL-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM INNER SALT, BAS 00481278, 3-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate, 2-Methyl-3-(3'-sulfopropyl)(1,2-d)naphthothiazolium betaine
| Molecular Formula | C15H15NO3S2 |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.04935 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 3176-77-0 |
|---|---|
| SMILES | CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-] |
| InChIKey | DTCXTTJRDSLBBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt (CAS 3176-77-0), with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol. IUPAC: 3-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate.
Chemical Property Profile of naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt
Property Insights of naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt
The XLogP value of 3.3 indicates that naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt. Following Lipinski's Rule of Five, naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt 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 naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
The CAS number of naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt is 3176-77-0.
What is the molecular formula of naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
The molecular formula of naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt is C15H15NO3S2.
What is the molecular weight of naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
The molecular weight of naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt is 321.05 g/mol.
Where can I buy naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
You can request a quote for naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.