20-acetoxy-clavulone II
TL;DR: 20-acetoxy-clavulone II (CAS 88216-92-6) is a chemical compound with molecular formula C27H36O9 and molecular weight 504.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E,4R,7E)-4-acetyloxy-7-[(2S)-2-acetyloxy-2-[(Z)-8-acetyloxyoct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Also Known As: 20-acetoxy-clavulone II, 20-Acetoxyclavulone II, 20-acetoxy-claviridenone C, -4,12,20-Tris -9-oxo-5,7,10,14-prostatetren-1-oicacidmethylester, methyl 4R,12S,20-triacetoxy-9-oxo-5E,7E,10Z,13Z-prostatetraenoate-cyclo[8,12]
| Molecular Formula | C27H36O9 |
|---|---|
| Molecular Weight | 504.24 g/mol |
| LogP | 3.8645 |
| Topological Polar Surface Area | 122.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 504.23593 |
| Heavy Atoms | 36 |
| Complexity | 910.20514 |
Chemical Identifiers
| CAS Number | 88216-92-6 |
|---|---|
| SMILES | CC(=O)OCCCCC/C=C\C[C@@]\1(C=CC(=O)/C1=C/C=C/[C@@H](CCC(=O)OC)OC(=O)C)OC(=O)C |
Product Overview
20-acetoxy-clavulone II (CAS 88216-92-6), with molecular formula C27H36O9 and molecular weight 504.24 g/mol. IUPAC: methyl (E,4R,7E)-4-acetyloxy-7-[(2S)-2-acetyloxy-2-[(Z)-8-acetyloxyoct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate.
Chemical Property Profile of 20-acetoxy-clavulone II
Property Insights of 20-acetoxy-clavulone II
The XLogP value of 3.8645 indicates that 20-acetoxy-clavulone II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-acetoxy-clavulone II. Following Lipinski's Rule of Five, 20-acetoxy-clavulone II has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 20-acetoxy-clavulone II?
The CAS number of 20-acetoxy-clavulone II is 88216-92-6.
What is the molecular formula of 20-acetoxy-clavulone II?
The molecular formula of 20-acetoxy-clavulone II is C27H36O9.
What is the molecular weight of 20-acetoxy-clavulone II?
The molecular weight of 20-acetoxy-clavulone II is 504.24 g/mol.
Where can I buy 20-acetoxy-clavulone II?
You can request a quote for 20-acetoxy-clavulone II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-acetoxy-clavulone II?
Yes, KEHONG BIO provides custom synthesis services for 20-acetoxy-clavulone II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.