Halenaquinol
TL;DR: Halenaquinol (CAS 96603-02-0) is a chemical compound with molecular formula C20H14O5 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-5,8-dihydroxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaene-12,17-dione
Also Known As: Halenaquinol, helenaquinol, (S)-8,11-Dihydroxy-12bbeta-methyl-1H-5-oxabenzo[k]acephenanthrylene-3,6(2H,12bH)-dione, (1S)-5,8-dihydroxy-1-methyl-14-oxapentacyclo(11.6.1.02,11.04,9.016,20)icosa-2,4,6,8,10,13(20),15-heptaene-12,17-dione, (1S)-5,8-dihydroxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,5,7,9,13(20),15-heptaene-12,17-dione
| Molecular Formula | C20H14O5 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 3.6709 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 334.08414 |
| Heavy Atoms | 25 |
| Complexity | 1120.8073 |
Chemical Identifiers
| CAS Number | 96603-02-0 |
|---|---|
| SMILES | C[C@@]12CCC(=O)C3=COC(=C31)C(=O)C4=CC5=C(C=CC(=C5C=C24)O)O |
Product Overview
Halenaquinol (CAS 96603-02-0), with molecular formula C20H14O5 and molecular weight 334.08 g/mol. IUPAC: (1S)-5,8-dihydroxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaene-12,17-dione.
Chemical Property Profile of Halenaquinol
Property Insights of Halenaquinol
The XLogP value of 3.6709 indicates that Halenaquinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Halenaquinol. Following Lipinski's Rule of Five, Halenaquinol has 2 hydrogen bond donor(s) and 5 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 Halenaquinol?
The CAS number of Halenaquinol is 96603-02-0.
What is the molecular formula of Halenaquinol?
The molecular formula of Halenaquinol is C20H14O5.
What is the molecular weight of Halenaquinol?
The molecular weight of Halenaquinol is 334.08 g/mol.
Where can I buy Halenaquinol?
You can request a quote for Halenaquinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halenaquinol?
Yes, KEHONG BIO provides custom synthesis services for Halenaquinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.