6-Hydroxyisocompactin
TL;DR: 6-Hydroxyisocompactin (CAS 81093-44-9) is a chemical compound with molecular formula C23H34O6 and molecular weight 406.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-hydroxy-8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
Also Known As: 6-Hydroxyisocompactin, 6-Hydroxy-isocompactin, 6-Hydroxy-iso-compactin, SQ 31906 Lactone, 3a-Hydroxy Pravastatin Lactone
| Molecular Formula | C23H34O6 |
|---|---|
| Molecular Weight | 406.24 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.23553 |
| Heavy Atoms | 29 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 81093-44-9 |
|---|---|
| SMILES | CCC(C)C(=O)OC1CC=CC2=CC(C(C(C12)CCC3CC(CC(=O)O3)O)C)O |
| InChIKey | JCXABYACWXHFQQ-UHFFFAOYSA-N |
Product Overview
6-Hydroxyisocompactin (CAS 81093-44-9), with molecular formula C23H34O6 and molecular weight 406.24 g/mol. IUPAC: [6-hydroxy-8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate.
Chemical Property Profile of 6-Hydroxyisocompactin
Property Insights of 6-Hydroxyisocompactin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxyisocompactin. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Hydroxyisocompactin. Following Lipinski's Rule of Five, 6-Hydroxyisocompactin 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 6-Hydroxyisocompactin?
The CAS number of 6-Hydroxyisocompactin is 81093-44-9.
What is the molecular formula of 6-Hydroxyisocompactin?
The molecular formula of 6-Hydroxyisocompactin is C23H34O6.
What is the molecular weight of 6-Hydroxyisocompactin?
The molecular weight of 6-Hydroxyisocompactin is 406.24 g/mol.
Where can I buy 6-Hydroxyisocompactin?
You can request a quote for 6-Hydroxyisocompactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxyisocompactin?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxyisocompactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.