ent-3S,16S,17-trihydroxy-kauran-2-one
TL;DR: ent-3S,16S,17-trihydroxy-kauran-2-one (CAS 136025-64-4) is a chemical compound with molecular formula C20H32O4 and molecular weight 336.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4S,6S,9S,10R,13R,14S)-6,14-dihydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-7-one
Also Known As: Diterpene, ent-3S,16S,17-trihydroxy-kauran-2-one, 3,16,17-Trihydroxykauran-2-one, ent-3S,17-trihydroxy-kauran-2-one, dihydroxy-(hydroxymethyl)-trimethyl-[?]one
| Molecular Formula | C20H32O4 |
|---|---|
| Molecular Weight | 336.23 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.23007 |
| Heavy Atoms | 24 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 136025-64-4 |
|---|---|
| SMILES | C[C@@]12CC(=O)[C@H](C([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@](C4)(CO)O)(C)C)O |
| InChIKey | PDTSXGBDZWSUTI-YFFOHKSQSA-N |
Product Overview
ent-3S,16S,17-trihydroxy-kauran-2-one (CAS 136025-64-4), with molecular formula C20H32O4 and molecular weight 336.23 g/mol. IUPAC: (1S,4S,6S,9S,10R,13R,14S)-6,14-dihydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-7-one.
Chemical Property Profile of ent-3S,16S,17-trihydroxy-kauran-2-one
Property Insights of ent-3S,16S,17-trihydroxy-kauran-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ent-3S,16S,17-trihydroxy-kauran-2-one. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ent-3S,16S,17-trihydroxy-kauran-2-one. Following Lipinski's Rule of Five, ent-3S,16S,17-trihydroxy-kauran-2-one has 3 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 ent-3S,16S,17-trihydroxy-kauran-2-one?
The CAS number of ent-3S,16S,17-trihydroxy-kauran-2-one is 136025-64-4.
What is the molecular formula of ent-3S,16S,17-trihydroxy-kauran-2-one?
The molecular formula of ent-3S,16S,17-trihydroxy-kauran-2-one is C20H32O4.
What is the molecular weight of ent-3S,16S,17-trihydroxy-kauran-2-one?
The molecular weight of ent-3S,16S,17-trihydroxy-kauran-2-one is 336.23 g/mol.
Where can I buy ent-3S,16S,17-trihydroxy-kauran-2-one?
You can request a quote for ent-3S,16S,17-trihydroxy-kauran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ent-3S,16S,17-trihydroxy-kauran-2-one?
Yes, KEHONG BIO provides custom synthesis services for ent-3S,16S,17-trihydroxy-kauran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.