7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate
TL;DR: 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate (CAS 80508-81-2) is a chemical compound with molecular formula C22H30O5 and molecular weight 374.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4S,9R,10S,16S)-2-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Also Known As: Glaucocalyxin B, 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate, Kaur-16-ene-3,15-dione, 14-(acetyloxy)-7-hydroxy-, (7alpha,14R)-, (14S)-7alpha-Hydroxy-3,15-dioxo-5beta,9beta,10alpha-kaur-16-en-14-yl acetate, (2R,4S,9R,10S,16S)-2-HYDROXY-5,5,9-TRIMETHYL-14-METHYLIDENE-6,15-DIOXOTETRACYCLO[11.2.1.0(1),(1)?.0?,?]HEXADECAN-16-YL ACETATE
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 80508-81-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1C2CC[C@@H]3C1([C@@H](C[C@H]4[C@]3(CCC(=O)C4(C)C)C)O)C(=O)C2=C |
| InChIKey | LSUXOKVMORWDLT-FFQMZICYSA-N |
Product Overview
7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate (CAS 80508-81-2), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: [(2R,4S,9R,10S,16S)-2-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-16-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.
Chemical Property Profile of 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate
Property Insights of 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate. Following Lipinski's Rule of Five, 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate has 1 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-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate?
The CAS number of 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate is 80508-81-2.
What is the molecular formula of 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate?
The molecular formula of 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate is C22H30O5.
What is the molecular weight of 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate?
The molecular weight of 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate is 374.21 g/mol.
Where can I buy 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate?
You can request a quote for 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.