7,12,14-Trihydroxy-15-oxokaur-16-en-18-al
TL;DR: 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al (CAS 91379-75-8) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5S,9R,10S,12S,16S)-2,12,16-trihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
Also Known As: Macrocalyxin C, 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al, (4beta,7alpha,12alpha,14R)-7,12,14-Trihydroxy-15-oxo-kaur-16-en-18-al, (14S)-7alpha,12alpha,14-Trihydroxy-15-oxo-5beta,9beta,10alpha-kaur-16-en-19-al, Kaur-16-en-18-al, 7,12,14-trihydroxy-15-oxo-, (4beta,7alpha,12alpha,14R)-
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 1.2458 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 658.4719 |
Chemical Identifiers
| CAS Number | 91379-75-8 |
|---|---|
| SMILES | C[C@@]1(CCC[C@@]2([C@@H]1C[C@H](C34[C@H]2C[C@@H](C([C@@H]3O)C(=C)C4=O)O)O)C)C=O |
Product Overview
7,12,14-Trihydroxy-15-oxokaur-16-en-18-al (CAS 91379-75-8), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: (2R,4S,5S,9R,10S,12S,16S)-2,12,16-trihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde.
Chemical Property Profile of 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al
Property Insights of 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al
The XLogP value of 1.2458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al. Following Lipinski's Rule of Five, 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al has 3 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 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al?
The CAS number of 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al is 91379-75-8.
What is the molecular formula of 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al?
The molecular formula of 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al is C20H28O5.
What is the molecular weight of 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al?
The molecular weight of 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al is 348.19 g/mol.
Where can I buy 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al?
You can request a quote for 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al?
Yes, KEHONG BIO provides custom synthesis services for 7,12,14-Trihydroxy-15-oxokaur-16-en-18-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.