Divanillin
TL;DR: Divanillin (CAS 2092-49-1) is a chemical compound with molecular formula C16H14O6 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
Also Known As: Divanillin, Dehydrodivanillin, 5,5'-Bivanillin, Dehydrovanillin, 6,6'-Dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde
| Molecular Formula | C16H14O6 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.07904 |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
| Melting Point | 315.00 °C. @ 760.00 mm Hg |
| Solubility | Practically insoluble to insoluble in water; soluble in benzyl alcohol |
Chemical Identifiers
| CAS Number | 2092-49-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C=O)OC)O)C=O |
| InChIKey | NSTQUZVZBUTVPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Divanillin (CAS 2092-49-1), with molecular formula C16H14O6 and molecular weight 302.08 g/mol. IUPAC: 3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde.
Chemical Property Profile of Divanillin
Property Insights of Divanillin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Divanillin. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Divanillin. Following Lipinski's Rule of Five, Divanillin 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 Divanillin?
The CAS number of Divanillin is 2092-49-1.
What is the molecular formula of Divanillin?
The molecular formula of Divanillin is C16H14O6.
What is the molecular weight of Divanillin?
The molecular weight of Divanillin is 302.08 g/mol.
Where can I buy Divanillin?
You can request a quote for Divanillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Divanillin?
Yes, KEHONG BIO provides custom synthesis services for Divanillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.