![3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide structure](/static/products/6572/65726-76-3.webp)
3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide
TL;DR: 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide (CAS 65726-76-3) is a chemical compound with molecular formula C13H11NO3S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,4-dioxonaphthalen-2-yl)sulfanylpropanamide
Also Known As: 3-(1,4-dioxonaphthalen-2-yl)sulfanylpropanamide, 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.04596 |
| Heavy Atoms | 18 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 65726-76-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCCC(=O)N |
| InChIKey | YNNYCPRGHNXWTE-UHFFFAOYSA-N |
Product Overview
3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide (CAS 65726-76-3), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: 3-(1,4-dioxonaphthalen-2-yl)sulfanylpropanamide.
Chemical Property Profile of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide
Property Insights of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide. Following Lipinski's Rule of Five, 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide has 1 hydrogen bond donor(s) and 4 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]propanamide?
The CAS number of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide is 65726-76-3.
What is the molecular formula of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide?
The molecular formula of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide is C13H11NO3S.
What is the molecular weight of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide?
The molecular weight of 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide is 261.05 g/mol.
Where can I buy 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide?
You can request a quote for 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide 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]propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.