![3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid structure](/static/products/6572/65726-66-1.webp)
3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid
TL;DR: 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid (CAS 65726-66-1) is a chemical compound with molecular formula C13H10O4S and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid
Also Known As: J1.103.292C, 3-(1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid, 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid, 3-(1,4-Dioxo-1,4-dihydronaphthalene-2-ylthio)propionic acid, 3-[(1,4-Dioxo-1,4-dihydronaphthalene-2-yl)thio]propionic acid
| Molecular Formula | C13H10O4S |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.02997 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 65726-66-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCCC(=O)O |
| InChIKey | FSELXDDMIGSPLC-UHFFFAOYSA-N |
Product Overview
3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid (CAS 65726-66-1), with molecular formula C13H10O4S and molecular weight 262.03 g/mol. IUPAC: 3-(1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid.
Chemical Property Profile of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid
Property Insights of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid. Following Lipinski's Rule of Five, 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid has 1 hydrogen bond donor(s) and 5 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-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid?
The CAS number of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid is 65726-66-1.
What is the molecular formula of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid?
The molecular formula of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid is C13H10O4S.
What is the molecular weight of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid?
The molecular weight of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid is 262.03 g/mol.
Where can I buy 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid?
You can request a quote for 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]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-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.