![4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide structure](/static/products/6572/65726-77-4.webp)
4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide
TL;DR: 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide (CAS 65726-77-4) is a chemical compound with molecular formula C14H13NO3S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanamide
Also Known As: 4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanamide, 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide
| Molecular Formula | C14H13NO3S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0616 |
| Heavy Atoms | 19 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 65726-77-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCCCC(=O)N |
| InChIKey | LMMNPEHJTRTXSM-UHFFFAOYSA-N |
Product Overview
4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide (CAS 65726-77-4), with molecular formula C14H13NO3S and molecular weight 275.06 g/mol. IUPAC: 4-(1,4-dioxonaphthalen-2-yl)sulfanylbutanamide.
Chemical Property Profile of 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide
Property Insights of 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide. Following Lipinski's Rule of Five, 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide 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 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide?
The CAS number of 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide is 65726-77-4.
What is the molecular formula of 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide?
The molecular formula of 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide is C14H13NO3S.
What is the molecular weight of 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide?
The molecular weight of 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide is 275.06 g/mol.
Where can I buy 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide?
You can request a quote for 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.