![Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- structure](/static/products/6572/65726-67-2.webp)
Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-
TL;DR: Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- (CAS 65726-67-2) is a chemical compound with molecular formula C14H12O4S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanoic acid
Also Known As: 4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanoic acid, 4-[(1,4-dioxo-2-naphthyl)sulfanyl]butanoic acid, Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-, 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanoic acid
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.04562 |
| Heavy Atoms | 19 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 65726-67-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCCCC(=O)O |
| InChIKey | BEFRYHVAAGJUCX-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- (CAS 65726-67-2), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: 4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanoic acid.
Chemical Property Profile of Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-
Property Insights of Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-. Following Lipinski's Rule of Five, Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- 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 Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
The CAS number of Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- is 65726-67-2.
What is the molecular formula of Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
The molecular formula of Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- is C14H12O4S.
What is the molecular weight of Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
The molecular weight of Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- is 276.05 g/mol.
Where can I buy Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
You can request a quote for Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.