naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt
TL;DR: naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt (CAS 63149-04-2) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)butane-2-sulfonate
Also Known As: Naphtho[2,3-d]thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt, 2-methyl-3-(3-sulphonatobutyl)naphtho[1,2-d]thiazolium, 4-(2-methylnaphtho[2,3-d][1,3]thiazol-3-ium-3-yl)butane-2-sulfonate, Naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt, 2-Methyl-3-(3-sulfonatobutyl)naphtho[1,2-d]thiazolium
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 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 | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 63149-04-2 |
|---|---|
| SMILES | CC1=[N+](C2=CC3=CC=CC=C3C=C2S1)CCC(C)S(=O)(=O)[O-] |
| InChIKey | KGWCEOFHZNXUTC-UHFFFAOYSA-N |
Product Overview
naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt (CAS 63149-04-2), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: 4-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)butane-2-sulfonate.
Chemical Property Profile of naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt
Property Insights of naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt
The XLogP value of 3.3 indicates that naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, 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(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt. Following Lipinski's Rule of Five, naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, 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(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt?
The CAS number of naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt is 63149-04-2.
What is the molecular formula of naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt?
The molecular formula of naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt is C16H17NO3S2.
What is the molecular weight of naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt?
The molecular weight of naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt is 335.06 g/mol.
Where can I buy naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt?
You can request a quote for naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, 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(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for naphtho(2,3-d)thiazolium, 2-methyl-3-(3-sulfobutyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.