2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione
TL;DR: 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione (CAS 65726-73-0) is a chemical compound with molecular formula C14H14O4S and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-5,8-dihydroxynaphthalene-1,4-dione
Also Known As: 2-butylsulfanyl-5,8-dihydroxynaphthalene-1,4-dione, 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione
| Molecular Formula | C14H14O4S |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.06128 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 65726-73-0 |
|---|---|
| SMILES | CCCCSC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
| InChIKey | HLHWZXNMZUMIPK-UHFFFAOYSA-N |
Product Overview
2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione (CAS 65726-73-0), with molecular formula C14H14O4S and molecular weight 278.06 g/mol. IUPAC: 2-butylsulfanyl-5,8-dihydroxynaphthalene-1,4-dione.
Chemical Property Profile of 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione
Property Insights of 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione
The XLogP value of 3.8 indicates that 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione has 2 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 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione?
The CAS number of 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione is 65726-73-0.
What is the molecular formula of 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione?
The molecular formula of 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione is C14H14O4S.
What is the molecular weight of 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione?
The molecular weight of 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione is 278.06 g/mol.
Where can I buy 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione?
You can request a quote for 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylsulfanyl)-5,8-dihydroxynaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.