Methyl acetoxyangolensate
TL;DR: Methyl acetoxyangolensate (CAS 16566-88-4) is a chemical compound with molecular formula C29H36O9 and molecular weight 528.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyloxy-2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
Also Known As: Methyl acetoxyangolensate, KBio1_001812
| Molecular Formula | C29H36O9 |
|---|---|
| Molecular Weight | 528.24 g/mol |
| LogP | 4.1039 |
| Topological Polar Surface Area | 118.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 528.23596 |
| Heavy Atoms | 38 |
| Complexity | 1198.5264 |
Chemical Identifiers
| CAS Number | 16566-88-4 |
|---|---|
| SMILES | CC(=O)OC(C1C(C(=O)CC2C1(C3CCC4(C(OC(=O)CC4(C3=C)O2)C5=COC=C5)C)C)(C)C)C(=O)OC |
Product Overview
Methyl acetoxyangolensate (CAS 16566-88-4), with molecular formula C29H36O9 and molecular weight 528.24 g/mol. IUPAC: methyl 2-acetyloxy-2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate.
Chemical Property Profile of Methyl acetoxyangolensate
Property Insights of Methyl acetoxyangolensate
The XLogP value of 4.1039 indicates that Methyl acetoxyangolensate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl acetoxyangolensate. Following Lipinski's Rule of Five, Methyl acetoxyangolensate 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 Methyl acetoxyangolensate?
The CAS number of Methyl acetoxyangolensate is 16566-88-4.
What is the molecular formula of Methyl acetoxyangolensate?
The molecular formula of Methyl acetoxyangolensate is C29H36O9.
What is the molecular weight of Methyl acetoxyangolensate?
The molecular weight of Methyl acetoxyangolensate is 528.24 g/mol.
Where can I buy Methyl acetoxyangolensate?
You can request a quote for Methyl acetoxyangolensate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl acetoxyangolensate?
Yes, KEHONG BIO provides custom synthesis services for Methyl acetoxyangolensate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.