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4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione
TL;DR: 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione (CAS 7317-52-4) is a chemical compound with molecular formula C17H12O3S and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-(phenylsulfanylmethyl)naphthalene-1,2-dione
Also Known As: 4-hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione, 4-hydroxy-3-(phenylsulfanylmethyl)naphthalene-1,2-dione, Lithium,[1-[(1-methylethyl)thio]-2-propenyl], 4-Hydroxy-3-((phenylthio)methyl)naphthalene-1,2-dione
| Molecular Formula | C17H12O3S |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.05072 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 7317-52-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=C(C3=CC=CC=C3C(=O)C2=O)O |
| InChIKey | CJUMASAEZJCHRI-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione (CAS 7317-52-4), with molecular formula C17H12O3S and molecular weight 296.05 g/mol. IUPAC: 4-hydroxy-3-(phenylsulfanylmethyl)naphthalene-1,2-dione.
Chemical Property Profile of 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione
Property Insights of 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione. Following Lipinski's Rule of Five, 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione 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-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione?
The CAS number of 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione is 7317-52-4.
What is the molecular formula of 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione?
The molecular formula of 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione is C17H12O3S.
What is the molecular weight of 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione?
The molecular weight of 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione is 296.05 g/mol.
Where can I buy 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione?
You can request a quote for 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-[(phenylsulfanyl)methyl]naphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.