![3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid structure](/static/products/848/848369-67-5.png)
3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid
TL;DR: 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid (CAS 848369-67-5) is a chemical compound with molecular formula C13H11NO4S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)propanoic acid
Also Known As: 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid, 3-(2,2-Dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl)propanoic acid, 3-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)propanoic acid, 3-{2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl}propanoic acid, 3-(2,2-Dioxo-2lambda6-thia-3-azatricyclo[6.3.1.0,4,12]dodeca-1(11),4(12),5,7,9-pentaen-3-yl)propanoicacid
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 1.8232 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0409 |
| Heavy Atoms | 19 |
| Complexity | 777.07983 |
Chemical Identifiers
| CAS Number | 848369-67-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)N(S(=O)(=O)C3=CC=C2)CCC(=O)O |
Product Overview
3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid (CAS 848369-67-5), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: 3-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)propanoic acid.
Chemical Property Profile of 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid
Property Insights of 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid
The XLogP value of 1.8232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic 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 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid?
The CAS number of 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid is 848369-67-5.
What is the molecular formula of 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid?
The molecular formula of 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid is C13H11NO4S.
What is the molecular weight of 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid?
The molecular weight of 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid is 277.04 g/mol.
Where can I buy 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid?
You can request a quote for 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.