Cyclopolic acid
TL;DR: Cyclopolic acid (CAS 477-98-5) is a chemical compound with molecular formula C11H12O6 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Cyclopolic acid
3,5-dihydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3H-2-benzofuran-1-one
Also Known As: Cyclopolic acid, 1(3H)-Isobenzofuranone, 3,5-dihydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-, 2,5-dihydroxy-4-(hydroxymethyl)-7-methoxy-6-methylphthalide, 3,5-dihydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3H-2-benzofuran-1-one, 3,5-Dihydroxy-4-hydroxymethyl-7-methoxy-6-methylisobenzofuran-1(3H)-one
| Molecular Formula | C11H12O6 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 0.36282 |
| Topological Polar Surface Area | 96.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.06339 |
| Heavy Atoms | 17 |
| Complexity | 493.4704 |
Chemical Identifiers
| CAS Number | 477-98-5 |
|---|---|
| SMILES | CC1=C(C(=C2C(OC(=O)C2=C1OC)O)CO)O |
Product Overview
Cyclopolic acid (CAS 477-98-5), with molecular formula C11H12O6 and molecular weight 240.06 g/mol. IUPAC: 3,5-dihydroxy-4-(hydroxymethyl)-7-methoxy-6-methyl-3H-2-benzofuran-1-one.
Chemical Property Profile of Cyclopolic acid
Property Insights of Cyclopolic acid
The XLogP value of 0.36282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopolic acid. The TPSA of 96.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopolic acid. Following Lipinski's Rule of Five, Cyclopolic acid has 3 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 Cyclopolic acid?
The CAS number of Cyclopolic acid is 477-98-5.
What is the molecular formula of Cyclopolic acid?
The molecular formula of Cyclopolic acid is C11H12O6.
What is the molecular weight of Cyclopolic acid?
The molecular weight of Cyclopolic acid is 240.06 g/mol.
Where can I buy Cyclopolic acid?
You can request a quote for Cyclopolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopolic acid?
Yes, KEHONG BIO provides custom synthesis services for Cyclopolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.