ent-16S,17-Dihydroxyatisan-3-one
TL;DR: ent-16S,17-Dihydroxyatisan-3-one (CAS 112523-91-8) 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.
(1S,4S,9S,10R,12R,13S)-13-hydroxy-13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[10.2.2.01,10.04,9]hexadecan-6-one
Also Known As: Diterpene, ent-16S,17-Dihydroxyatisan-3-one, 16,17-Dihydroxyatisan-3-one, ent-16alpha,17-dihydroxyatisan-3-one, 4CN-3046
| 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 | 112523-91-8 |
|---|---|
| SMILES | C[C@@]12CCC(=O)C([C@H]1CC[C@]34[C@H]2C[C@@H](CC3)[C@@](C4)(CO)O)(C)C |
| InChIKey | GFMRAAZMCOCUCY-ALCQSMKISA-N |
Product Overview
ent-16S,17-Dihydroxyatisan-3-one (CAS 112523-91-8), with molecular formula C20H32O3 and molecular weight 320.24 g/mol. IUPAC: (1S,4S,9S,10R,12R,13S)-13-hydroxy-13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[10.2.2.01,10.04,9]hexadecan-6-one.
Chemical Property Profile of ent-16S,17-Dihydroxyatisan-3-one
Property Insights of ent-16S,17-Dihydroxyatisan-3-one
The XLogP value of 3.0 indicates that ent-16S,17-Dihydroxyatisan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, ent-16S,17-Dihydroxyatisan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ent-16S,17-Dihydroxyatisan-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 ent-16S,17-Dihydroxyatisan-3-one?
The CAS number of ent-16S,17-Dihydroxyatisan-3-one is 112523-91-8.
What is the molecular formula of ent-16S,17-Dihydroxyatisan-3-one?
The molecular formula of ent-16S,17-Dihydroxyatisan-3-one is C20H32O3.
What is the molecular weight of ent-16S,17-Dihydroxyatisan-3-one?
The molecular weight of ent-16S,17-Dihydroxyatisan-3-one is 320.24 g/mol.
Where can I buy ent-16S,17-Dihydroxyatisan-3-one?
You can request a quote for ent-16S,17-Dihydroxyatisan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ent-16S,17-Dihydroxyatisan-3-one?
Yes, KEHONG BIO provides custom synthesis services for ent-16S,17-Dihydroxyatisan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.