1,3-Naphthalenediol, 4,4'-methylenedi-
TL;DR: 1,3-Naphthalenediol, 4,4'-methylenedi- (CAS 68828-44-4) is a chemical compound with molecular formula C21H16O4 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,3-diol
Also Known As: 4,4'-Methylenebis(1,3-naphthalenediol), 1,3-NAPHTHALENEDIOL, 4,4'-METHYLENEDI-, 0-06-00-01182 (Beilstein Handbook Reference), 4,4'-Methylenedi(naphthalene-1,3-diol), 1,3-Naphthalenediol, 4,4'-methylenebis-
| Molecular Formula | C21H16O4 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.10486 |
| Heavy Atoms | 25 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 68828-44-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2CC3=C(C=C(C4=CC=CC=C43)O)O)O)O |
| InChIKey | JVNQHANPPGWIDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Naphthalenediol, 4,4'-methylenedi- (CAS 68828-44-4), with molecular formula C21H16O4 and molecular weight 332.10 g/mol. IUPAC: 4-[(2,4-dihydroxynaphthalen-1-yl)methyl]naphthalene-1,3-diol.
Chemical Property Profile of 1,3-Naphthalenediol, 4,4'-methylenedi-
Property Insights of 1,3-Naphthalenediol, 4,4'-methylenedi-
The XLogP value of 4.9 indicates that 1,3-Naphthalenediol, 4,4'-methylenedi- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Naphthalenediol, 4,4'-methylenedi-. Following Lipinski's Rule of Five, 1,3-Naphthalenediol, 4,4'-methylenedi- has 4 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 1,3-Naphthalenediol, 4,4'-methylenedi-?
The CAS number of 1,3-Naphthalenediol, 4,4'-methylenedi- is 68828-44-4.
What is the molecular formula of 1,3-Naphthalenediol, 4,4'-methylenedi-?
The molecular formula of 1,3-Naphthalenediol, 4,4'-methylenedi- is C21H16O4.
What is the molecular weight of 1,3-Naphthalenediol, 4,4'-methylenedi-?
The molecular weight of 1,3-Naphthalenediol, 4,4'-methylenedi- is 332.10 g/mol.
Where can I buy 1,3-Naphthalenediol, 4,4'-methylenedi-?
You can request a quote for 1,3-Naphthalenediol, 4,4'-methylenedi- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Naphthalenediol, 4,4'-methylenedi-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Naphthalenediol, 4,4'-methylenedi- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.