Acetylstachyflin
TL;DR: Acetylstachyflin (CAS 189185-59-9) is a chemical compound with molecular formula C25H33NO5 and molecular weight 427.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,13R,14S,17S,19S)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-19-yl] acetate
Also Known As: Acetylstachyflin, (hydroxy-tetramethyl-oxo-[?]yl) acetate, J1.700.457C, [(1S,13R,14S,17S,19S)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-19-yl] acetate, 3H-Naphtho[1',8a':5,6]pyrano[2,3-e]isoindol-3-one, 11-(acetyloxy)-1,2,6,6a,7,8,9,9a,10,11,12,13-dodecahydro-5-hydroxy-6a,7,10,10-tetramethyl-, (6aR,7S,9aS,11S,13aS)-
| Molecular Formula | C25H33NO5 |
|---|---|
| Molecular Weight | 427.24 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.23587 |
| Heavy Atoms | 31 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 189185-59-9 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@]3([C@@]1(CC4=C(C=C5C(=C4O3)CNC5=O)O)C)CC[C@@H](C2(C)C)OC(=O)C |
| InChIKey | PYXJLZDIRGAZQG-RGXVLITJSA-N |
Product Overview
Acetylstachyflin (CAS 189185-59-9), with molecular formula C25H33NO5 and molecular weight 427.24 g/mol. IUPAC: [(1S,13R,14S,17S,19S)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-19-yl] acetate.
Chemical Property Profile of Acetylstachyflin
Property Insights of Acetylstachyflin
The XLogP value of 4.3 indicates that Acetylstachyflin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylstachyflin. Following Lipinski's Rule of Five, Acetylstachyflin has 2 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 Acetylstachyflin?
The CAS number of Acetylstachyflin is 189185-59-9.
What is the molecular formula of Acetylstachyflin?
The molecular formula of Acetylstachyflin is C25H33NO5.
What is the molecular weight of Acetylstachyflin?
The molecular weight of Acetylstachyflin is 427.24 g/mol.
Where can I buy Acetylstachyflin?
You can request a quote for Acetylstachyflin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylstachyflin?
Yes, KEHONG BIO provides custom synthesis services for Acetylstachyflin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.