![2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide structure](/static/products/4304/430445-08-2.webp)
2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
TL;DR: 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide (CAS 430445-08-2) is a chemical compound with molecular formula C18H15NO2S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylphenyl)methyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Also Known As: BAS 03143363, A3058/0129185, 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide, 2-(2-Methyl-benzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide, 2-(2-methylbenzyl)-2H-naphtho[1,8-cd][1,2]thiazole 1,1-dioxide
| Molecular Formula | C18H15NO2S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.08234 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 430445-08-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C3=CC=CC4=C3C(=CC=C4)S2(=O)=O |
| InChIKey | XDTMACKNQATELC-UHFFFAOYSA-N |
Product Overview
2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide (CAS 430445-08-2), with molecular formula C18H15NO2S and molecular weight 309.08 g/mol. IUPAC: 3-[(2-methylphenyl)methyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide.
Chemical Property Profile of 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
Property Insights of 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
The XLogP value of 3.8 indicates that 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide has 0 hydrogen bond donor(s) and 3 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 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
The CAS number of 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is 430445-08-2.
What is the molecular formula of 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
The molecular formula of 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is C18H15NO2S.
What is the molecular weight of 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
The molecular weight of 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide is 309.08 g/mol.
Where can I buy 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
You can request a quote for 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methylbenzyl)-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.