3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one
TL;DR: 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one (CAS 90749-76-1) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,5R,8S,9S,12S,15R,16R)-8,12-dimethyl-13-oxo-14,18-dioxapentacyclo[13.2.1.03,8.09,17.012,16]octadecan-5-yl] acetate
Also Known As: 3-AOOA, KST-1A8824, 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one, (2ar,3as,4as,6r,8as,8bs,10as,10br)-8a,10a-dimethyl-1-oxohexadecahydrobenzo[f][2]benzofuro[1,7,6-bcd][1]benzofuran-6-yl acetate, 16-Oxaandrostan-17-one, 3-(acetyloxy)-7,15-epoxy-, (3alpha,5beta,7alpha,14beta,15alpha)-
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 90749-76-1 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]5C3[C@H](C[C@@H]2C1)O[C@@H]5OC4=O)C)C |
| InChIKey | DLZQXEXOMBRKQB-CUUPTRCUSA-N |
Product Overview
3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one (CAS 90749-76-1), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: [(1S,3S,5R,8S,9S,12S,15R,16R)-8,12-dimethyl-13-oxo-14,18-dioxapentacyclo[13.2.1.03,8.09,17.012,16]octadecan-5-yl] acetate.
Chemical Property Profile of 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one
Property Insights of 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one
The XLogP value of 3.4 indicates that 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one. Following Lipinski's Rule of Five, 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one has 0 hydrogen bond donor(s) and 5 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 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one?
The CAS number of 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one is 90749-76-1.
What is the molecular formula of 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one?
The molecular formula of 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one is C20H28O5.
What is the molecular weight of 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one?
The molecular weight of 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one is 348.19 g/mol.
Where can I buy 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one?
You can request a quote for 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-7,15-oxido-16-oxaandrostan-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.