Vanillil
TL;DR: Vanillil (CAS 6321-34-2) 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.
1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione
Also Known As: Vanillil, Ethanedione, bis(4-hydroxy-3-methoxyphenyl)-, 1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione, BIS(4-HYDROXY-3-METHOXYPHENYL)ETHANE-1,2-DIONE, 4,4'-dihydroxy-3,3'-dimethoxy-benzil
| Molecular Formula | C16H14O6 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 2.1 |
| 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 | 371.0 |
Chemical Identifiers
| CAS Number | 6321-34-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)C(=O)C2=CC(=C(C=C2)O)OC)O |
| InChIKey | MJHMXBDRUWSJOS-UHFFFAOYSA-N |
Product Overview
Vanillil (CAS 6321-34-2), with molecular formula C16H14O6 and molecular weight 302.08 g/mol. IUPAC: 1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione.
Chemical Property Profile of Vanillil
Property Insights of Vanillil
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillil. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Vanillil. Following Lipinski's Rule of Five, Vanillil 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 Vanillil?
The CAS number of Vanillil is 6321-34-2.
What is the molecular formula of Vanillil?
The molecular formula of Vanillil is C16H14O6.
What is the molecular weight of Vanillil?
The molecular weight of Vanillil is 302.08 g/mol.
Where can I buy Vanillil?
You can request a quote for Vanillil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanillil?
Yes, KEHONG BIO provides custom synthesis services for Vanillil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.