Cyclopaldic acid
TL;DR: Cyclopaldic acid (CAS 477-99-6) is a chemical compound with molecular formula C11H10O6 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde
Also Known As: Cyclopaldic acid, cyclopaldicacid, Gladiolic acid, 4-hydroxy-, BHVGIMSTMICYNZ-UHFFFAOYSA-, 3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbaldehyde
| Molecular Formula | C11H10O6 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.04774 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 477-99-6 |
|---|---|
| SMILES | CC1=C(C(=C2C(OC(=O)C2=C1OC)O)C=O)O |
| InChIKey | BHVGIMSTMICYNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopaldic acid (CAS 477-99-6), with molecular formula C11H10O6 and molecular weight 238.05 g/mol. IUPAC: 3,5-dihydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde.
Chemical Property Profile of Cyclopaldic acid
Property Insights of Cyclopaldic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopaldic acid. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopaldic acid. Following Lipinski's Rule of Five, Cyclopaldic acid 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 Cyclopaldic acid?
The CAS number of Cyclopaldic acid is 477-99-6.
What is the molecular formula of Cyclopaldic acid?
The molecular formula of Cyclopaldic acid is C11H10O6.
What is the molecular weight of Cyclopaldic acid?
The molecular weight of Cyclopaldic acid is 238.05 g/mol.
Where can I buy Cyclopaldic acid?
You can request a quote for Cyclopaldic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopaldic acid?
Yes, KEHONG BIO provides custom synthesis services for Cyclopaldic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.