Cerulignone
TL;DR: Cerulignone (CAS 493-74-3) is a chemical compound with molecular formula C16H16O6 and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-one
Also Known As: Cerulignone, Coerulignone, Coerulignon, CEDRIRET, TMPQ
| Molecular Formula | C16H16O6 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.0947 |
| Heavy Atoms | 22 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 493-74-3 |
|---|---|
| SMILES | COC1=CC(=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC |
| InChIKey | WASNBVDBYSQBPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cerulignone (CAS 493-74-3), with molecular formula C16H16O6 and molecular weight 304.09 g/mol. IUPAC: 4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-one.
Chemical Property Profile of Cerulignone
Property Insights of Cerulignone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cerulignone. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cerulignone. Following Lipinski's Rule of Five, Cerulignone has 0 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 Cerulignone?
The CAS number of Cerulignone is 493-74-3.
What is the molecular formula of Cerulignone?
The molecular formula of Cerulignone is C16H16O6.
What is the molecular weight of Cerulignone?
The molecular weight of Cerulignone is 304.09 g/mol.
Where can I buy Cerulignone?
You can request a quote for Cerulignone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cerulignone?
Yes, KEHONG BIO provides custom synthesis services for Cerulignone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.