![(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid structure](/static/products/857/857041-85-1.png)
(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid
TL;DR: (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid (CAS 857041-85-1) is a chemical compound with molecular formula C12H9NO4S and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetic acid
Also Known As: (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid, 2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl)acetic acid, 2-(1,1-Dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid, 2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetic acid, 2-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}acetic acid
| Molecular Formula | C12H9NO4S |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 1.4331 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.02524 |
| Heavy Atoms | 18 |
| Complexity | 761.4911 |
Chemical Identifiers
| CAS Number | 857041-85-1 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CC(=O)O |
Product Overview
(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid (CAS 857041-85-1), with molecular formula C12H9NO4S and molecular weight 263.03 g/mol. IUPAC: 2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetic acid.
Chemical Property Profile of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid
Property Insights of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid
The XLogP value of 1.4331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid. Following Lipinski's Rule of Five, (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid has 1 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 (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid?
The CAS number of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid is 857041-85-1.
What is the molecular formula of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid?
The molecular formula of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid is C12H9NO4S.
What is the molecular weight of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid?
The molecular weight of (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid is 263.03 g/mol.
Where can I buy (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid?
You can request a quote for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.