16-Epiabbeokutone
TL;DR: 16-Epiabbeokutone (CAS 13597-84-7) is a chemical compound with molecular formula C20H32O3 and molecular weight 320.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Also Known As: 16-Epiabbeokutone, Diterpene, ent-16S,17-Dihydroxykauran-3-one, ent-3-Oxokaurane-16,17-diol, 16,17-dihydroxykauran-3-one
| Molecular Formula | C20H32O3 |
|---|---|
| Molecular Weight | 320.24 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.23514 |
| Heavy Atoms | 23 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 13597-84-7 |
|---|---|
| SMILES | C[C@@]12CCC(=O)C([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@](C4)(CO)O)(C)C |
| InChIKey | MPDUJZZNNBJFAB-XYYNDNLRSA-N |
Product Overview
16-Epiabbeokutone (CAS 13597-84-7), with molecular formula C20H32O3 and molecular weight 320.24 g/mol. IUPAC: (1S,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one.
Chemical Property Profile of 16-Epiabbeokutone
Property Insights of 16-Epiabbeokutone
The XLogP value of 3.0 indicates that 16-Epiabbeokutone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 16-Epiabbeokutone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Epiabbeokutone has 2 hydrogen bond donor(s) and 3 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 16-Epiabbeokutone?
The CAS number of 16-Epiabbeokutone is 13597-84-7.
What is the molecular formula of 16-Epiabbeokutone?
The molecular formula of 16-Epiabbeokutone is C20H32O3.
What is the molecular weight of 16-Epiabbeokutone?
The molecular weight of 16-Epiabbeokutone is 320.24 g/mol.
Where can I buy 16-Epiabbeokutone?
You can request a quote for 16-Epiabbeokutone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Epiabbeokutone?
Yes, KEHONG BIO provides custom synthesis services for 16-Epiabbeokutone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.