Strychnistenolide A acetate
TL;DR: Strychnistenolide A acetate (CAS 325969-56-0) is a chemical compound with molecular formula C17H20O5 and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,7R,9S,10R,12S)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-2-yl] acetate
Also Known As: Strychnistenolide A acetate, J1.787.873E, (1S,2R,7R,9S,10R,12S)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-2-yl acetate, (4R)-3,6bbeta-Dimethyl-4alpha-acetoxy-5-methylene-7aalpha-hydroxy-2,4,4aalpha,5,5aalpha,6,6aalpha,6b,7,7a-decahydrocyclopropa[2,3]indeno[5,6-b]furan-2-one
| Molecular Formula | C17H20O5 |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | 1.7121 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.13107 |
| Heavy Atoms | 22 |
| Complexity | 661.96045 |
Chemical Identifiers
| CAS Number | 325969-56-0 |
|---|---|
| SMILES | CC1=C2[C@@H]([C@H]3C(=C)[C@H]4C[C@H]4[C@@]3(C[C@]2(OC1=O)O)C)OC(=O)C |
Product Overview
Strychnistenolide A acetate (CAS 325969-56-0), with molecular formula C17H20O5 and molecular weight 304.13 g/mol. IUPAC: [(1S,2R,7R,9S,10R,12S)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-2-yl] acetate.
Chemical Property Profile of Strychnistenolide A acetate
Property Insights of Strychnistenolide A acetate
The XLogP value of 1.7121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strychnistenolide A acetate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Strychnistenolide A acetate. Following Lipinski's Rule of Five, Strychnistenolide A acetate has 1 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 Strychnistenolide A acetate?
The CAS number of Strychnistenolide A acetate is 325969-56-0.
What is the molecular formula of Strychnistenolide A acetate?
The molecular formula of Strychnistenolide A acetate is C17H20O5.
What is the molecular weight of Strychnistenolide A acetate?
The molecular weight of Strychnistenolide A acetate is 304.13 g/mol.
Where can I buy Strychnistenolide A acetate?
You can request a quote for Strychnistenolide A acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strychnistenolide A acetate?
Yes, KEHONG BIO provides custom synthesis services for Strychnistenolide A acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.