3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione)
TL;DR: 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione) (CAS 4195-02-2) is a chemical compound with molecular formula C21H12O6 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)methyl]naphthalene-1,2-dione
Also Known As: Diphthiocol, Methylene-bis-lawsone, 1, 2,2'-methylenebis[3-hydroxy-, 3,3'-methanediylbis(4-hydroxynaphthalene-1,2-dione), 2,2'-methylenebis(3-hydroxy-1,4-naphthoquinone)
| Molecular Formula | C21H12O6 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.0634 |
| Heavy Atoms | 27 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 4195-02-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC3=C(C4=CC=CC=C4C(=O)C3=O)O)O |
| InChIKey | QOZDSCOMMADWQX-UHFFFAOYSA-N |
Product Overview
3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione) (CAS 4195-02-2), with molecular formula C21H12O6 and molecular weight 360.06 g/mol. IUPAC: 4-hydroxy-3-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)methyl]naphthalene-1,2-dione.
Chemical Property Profile of 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione)
Property Insights of 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione)
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione). The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione). Following Lipinski's Rule of Five, 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione) has 2 hydrogen bond donor(s) and 6 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 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione)?
The CAS number of 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione) is 4195-02-2.
What is the molecular formula of 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione)?
The molecular formula of 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione) is C21H12O6.
What is the molecular weight of 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione)?
The molecular weight of 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione) is 360.06 g/mol.
Where can I buy 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione)?
You can request a quote for 3,3'-Methanediylbis(4-hydroxynaphthalene-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 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Methanediylbis(4-hydroxynaphthalene-1,2-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.