Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-
TL;DR: Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)- (CAS 84609-15-4) 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.
[(1R,4S,5S,9S,10S,13S)-5,9-dimethyl-14-methylidene-2,6-dioxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Also Known As: 3,7-Dioxokaur-16-en-19-yl acetate, Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-, 3,7-Dioxo-5beta,8alpha,9beta,10alpha-kaur-16-en-19-yl acetate
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 84609-15-4 |
|---|---|
| SMILES | CC(=O)OC[C@@]1([C@H]2CC(=O)[C@@]34C[C@H](CC[C@H]3[C@@]2(CCC1=O)C)C(=C)C4)C |
| InChIKey | LUHBOTKDTDNYKX-BKTZOKNPSA-N |
Product Overview
Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)- (CAS 84609-15-4), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: [(1R,4S,5S,9S,10S,13S)-5,9-dimethyl-14-methylidene-2,6-dioxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate.
Chemical Property Profile of Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-
Property Insights of Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-. Following Lipinski's Rule of Five, Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)- has 0 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 Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-?
The CAS number of Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)- is 84609-15-4.
What is the molecular formula of Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-?
The molecular formula of Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)- is C22H30O4.
What is the molecular weight of Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-?
The molecular weight of Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)- is 358.21 g/mol.
Where can I buy Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-?
You can request a quote for Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)-?
Yes, KEHONG BIO provides custom synthesis services for Kaur-16-ene-3,7-dione, 18-(acetyloxy)-, (4beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.