Dehydroindicolactone
TL;DR: Dehydroindicolactone (CAS 87838-97-9) is a chemical compound with molecular formula C21H18O6 and molecular weight 366.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one
Also Known As: Clausenacoumarine, Indicolactone, Wampetin, Dehydroindicolactone, MEGxp0_001207
| Molecular Formula | C21H18O6 |
|---|---|
| Molecular Weight | 366.11 g/mol |
| LogP | 4.1261 |
| Topological Polar Surface Area | 78.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.11035 |
| Heavy Atoms | 27 |
| Complexity | 1144.3936 |
Chemical Identifiers
| CAS Number | 87838-97-9 |
|---|---|
| SMILES | CC1=CC(OC1=O)C/C(=C/COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)/C |
Product Overview
Dehydroindicolactone (CAS 87838-97-9), with molecular formula C21H18O6 and molecular weight 366.11 g/mol. IUPAC: 9-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one.
Chemical Property Profile of Dehydroindicolactone
Property Insights of Dehydroindicolactone
The XLogP value of 4.1261 indicates that Dehydroindicolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroindicolactone. Following Lipinski's Rule of Five, Dehydroindicolactone 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 Dehydroindicolactone?
The CAS number of Dehydroindicolactone is 87838-97-9.
What is the molecular formula of Dehydroindicolactone?
The molecular formula of Dehydroindicolactone is C21H18O6.
What is the molecular weight of Dehydroindicolactone?
The molecular weight of Dehydroindicolactone is 366.11 g/mol.
Where can I buy Dehydroindicolactone?
You can request a quote for Dehydroindicolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroindicolactone?
Yes, KEHONG BIO provides custom synthesis services for Dehydroindicolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.