Ethyl vanillyl carbonate
TL;DR: Ethyl vanillyl carbonate (CAS 97692-56-3) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4-formyl-2-methoxyphenyl) carbonate
Also Known As: Ethyl vanillyl carbonate, ethyl 4-formyl-2-methoxyphenyl carbonate, ethyl (4-formyl-2-methoxyphenyl) carbonate, 3-Ethylheptyl 2,5-dimethylheptyl phthalate, Carbonic acid, ethyl 4-formyl-2-methoxyphenyl ester
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 97692-56-3 |
|---|---|
| SMILES | CCOC(=O)OC1=C(C=C(C=C1)C=O)OC |
| InChIKey | BMQGIGJVGVCXGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl vanillyl carbonate (CAS 97692-56-3), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: ethyl (4-formyl-2-methoxyphenyl) carbonate.
Chemical Property Profile of Ethyl vanillyl carbonate
Property Insights of Ethyl vanillyl carbonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl vanillyl carbonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl vanillyl carbonate. Following Lipinski's Rule of Five, Ethyl vanillyl carbonate has 0 hydrogen bond donor(s) and 5 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 Ethyl vanillyl carbonate?
The CAS number of Ethyl vanillyl carbonate is 97692-56-3.
What is the molecular formula of Ethyl vanillyl carbonate?
The molecular formula of Ethyl vanillyl carbonate is C11H12O5.
What is the molecular weight of Ethyl vanillyl carbonate?
The molecular weight of Ethyl vanillyl carbonate is 224.07 g/mol.
Where can I buy Ethyl vanillyl carbonate?
You can request a quote for Ethyl vanillyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl vanillyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl vanillyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.