Heraclenol
TL;DR: Heraclenol (CAS 31575-93-6) 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.
9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
Also Known As: Heraclenol, komalin, Helaclenin oxide, Heraclenin oxide, prangenin hydrate
| Molecular Formula | C16H16O6 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.0947 |
| Heavy Atoms | 22 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 31575-93-6 |
|---|---|
| SMILES | CC(C)([C@@H](COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O |
| InChIKey | FOINLJRVEBYARJ-LLVKDONJSA-N |
Product Overview
Heraclenol (CAS 31575-93-6), with molecular formula C16H16O6 and molecular weight 304.09 g/mol. IUPAC: 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one.
Chemical Property Profile of Heraclenol
Property Insights of Heraclenol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heraclenol. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Heraclenol. Following Lipinski's Rule of Five, Heraclenol 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 Heraclenol?
The CAS number of Heraclenol is 31575-93-6.
What is the molecular formula of Heraclenol?
The molecular formula of Heraclenol is C16H16O6.
What is the molecular weight of Heraclenol?
The molecular weight of Heraclenol is 304.09 g/mol.
Where can I buy Heraclenol?
You can request a quote for Heraclenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heraclenol?
Yes, KEHONG BIO provides custom synthesis services for Heraclenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.