16,17-Dihydroxykauran-3-one
TL;DR: 16,17-Dihydroxykauran-3-one (CAS 38602-53-8) 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.
14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Also Known As: Calliterpenone, 16,17-dihydroxykauran-3-one, ent-3-Oxokaurane-16,17-diol, ent-16S,17-Dihydroxykauran-3-one, (1S,4S,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
| Molecular Formula | C20H32O3 |
|---|---|
| Molecular Weight | 320.24 g/mol |
| LogP | 3.3216 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.23514 |
| Heavy Atoms | 23 |
| Complexity | 541.0049 |
Chemical Identifiers
| CAS Number | 38602-53-8 |
|---|---|
| SMILES | CC1(C2CCC34CC(CCC3C2(CCC1=O)C)C(C4)(CO)O)C |
Product Overview
16,17-Dihydroxykauran-3-one (CAS 38602-53-8), with molecular formula C20H32O3 and molecular weight 320.24 g/mol. IUPAC: 14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one.
Chemical Property Profile of 16,17-Dihydroxykauran-3-one
Property Insights of 16,17-Dihydroxykauran-3-one
The XLogP value of 3.3216 indicates that 16,17-Dihydroxykauran-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 16,17-Dihydroxykauran-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16,17-Dihydroxykauran-3-one 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 16,17-Dihydroxykauran-3-one?
The CAS number of 16,17-Dihydroxykauran-3-one is 38602-53-8.
What is the molecular formula of 16,17-Dihydroxykauran-3-one?
The molecular formula of 16,17-Dihydroxykauran-3-one is C20H32O3.
What is the molecular weight of 16,17-Dihydroxykauran-3-one?
The molecular weight of 16,17-Dihydroxykauran-3-one is 320.24 g/mol.
Where can I buy 16,17-Dihydroxykauran-3-one?
You can request a quote for 16,17-Dihydroxykauran-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16,17-Dihydroxykauran-3-one?
Yes, KEHONG BIO provides custom synthesis services for 16,17-Dihydroxykauran-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.