Isospongiaquinone
TL;DR: Isospongiaquinone (CAS 7155-36-4) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
Also Known As: Isospongiaquinone, 5-epi-Isospongiaquinone, 3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione, 2,5-cyclohexadiene-1.4-dione,2-hydroxy-5-methoxy-3-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, 2,5-Cyclohexadiene-1.4-dione, 2-hydroxy-5-methoxy-3-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 7155-36-4 |
|---|---|
| SMILES | CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCC=C2C)C |
| InChIKey | LKNAVZKSKJJHQH-UHFFFAOYSA-N |
Product Overview
Isospongiaquinone (CAS 7155-36-4), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: 3-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Isospongiaquinone
Property Insights of Isospongiaquinone
The XLogP value of 4.8 indicates that Isospongiaquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isospongiaquinone. Following Lipinski's Rule of Five, Isospongiaquinone has 1 hydrogen bond donor(s) and 4 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 Isospongiaquinone?
The CAS number of Isospongiaquinone is 7155-36-4.
What is the molecular formula of Isospongiaquinone?
The molecular formula of Isospongiaquinone is C22H30O4.
What is the molecular weight of Isospongiaquinone?
The molecular weight of Isospongiaquinone is 358.21 g/mol.
Where can I buy Isospongiaquinone?
You can request a quote for Isospongiaquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isospongiaquinone?
Yes, KEHONG BIO provides custom synthesis services for Isospongiaquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.