methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate
TL;DR: methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate (CAS 94120-03-3) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate
Also Known As: Citreodiol, Methyl (2E,4E,6R,7R)-6,7-dihydroxy-2,6-dimethyl-octa-2,4-dienoate
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 94120-03-3 |
|---|---|
| SMILES | C[C@H]([C@@](C)(C=CC=C(C)C(=O)OC)O)O |
| InChIKey | VRPFJYGFBAJGLE-MWLCHTKSSA-N |
Product Overview
methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate (CAS 94120-03-3), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate.
Chemical Property Profile of methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate
Property Insights of methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate. Following Lipinski's Rule of Five, methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate has 2 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 methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate?
The CAS number of methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate is 94120-03-3.
What is the molecular formula of methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate?
The molecular formula of methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate is C11H18O4.
What is the molecular weight of methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate?
The molecular weight of methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate is 214.12 g/mol.
Where can I buy methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate?
You can request a quote for methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (6R,7R)-6,7-dihydroxy-2,6-dimethylocta-2,4-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.