Octahydroeuclein
TL;DR: Octahydroeuclein (CAS 816429-73-9) is a chemical compound with molecular formula C22H22O6 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1S,2R)-1,8-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: Octahydroeuclein, J2.124.771E, 7-[(1S,2R)-1,8-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one, (1S)-2beta-(1,5-Dihydroxy-5,6,7,8-tetrahydro-3-methyl-8-oxonaphthalene-2-yl)-1beta,8-dihydroxy-6-methyl-1,2-dihydronaphthalene-4(3H)-one, (1S,2R)-1,1',5',8-tetrahydroxy-3',6-dimethyl-1,2,3,4,5',6',7',8'-octahydro-[2,2'-binaphthalene]-4,8'-dione
| Molecular Formula | C22H22O6 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 3.12814 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.14163 |
| Heavy Atoms | 28 |
| Complexity | 1022.41754 |
Chemical Identifiers
| CAS Number | 816429-73-9 |
|---|---|
| SMILES | CC1=CC2=C([C@H]([C@H](CC2=O)C3=C(C4=C(C=C3C)C(CCC4=O)O)O)O)C(=C1)O |
Product Overview
Octahydroeuclein (CAS 816429-73-9), with molecular formula C22H22O6 and molecular weight 382.14 g/mol. IUPAC: 7-[(1S,2R)-1,8-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-naphthalen-2-yl]-4,8-dihydroxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of Octahydroeuclein
Property Insights of Octahydroeuclein
The XLogP value of 3.12814 indicates that Octahydroeuclein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Octahydroeuclein. Following Lipinski's Rule of Five, Octahydroeuclein has 4 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 Octahydroeuclein?
The CAS number of Octahydroeuclein is 816429-73-9.
What is the molecular formula of Octahydroeuclein?
The molecular formula of Octahydroeuclein is C22H22O6.
What is the molecular weight of Octahydroeuclein?
The molecular weight of Octahydroeuclein is 382.14 g/mol.
Where can I buy Octahydroeuclein?
You can request a quote for Octahydroeuclein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydroeuclein?
Yes, KEHONG BIO provides custom synthesis services for Octahydroeuclein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.