7alpha-Acetoxyroylenane
TL;DR: 7alpha-Acetoxyroylenane (CAS 68366-64-3) is a chemical compound with molecular formula C22H30O5 and molecular weight 374.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS)-8-hydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate
Also Known As: 7alpha-acetoxyroylenane, 7alpha-Acetoxyroyleanone, 7.alpha.-Acetoxyroyleanone, KST-1A7539, (5xi)-14-hydroxy-11,12-dioxoabieta-8,13-dien-7-yl acetate
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 68366-64-3 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC(C3CC2OC(=O)C)(C)C)C)O |
| InChIKey | MNEJUZVNGNCLJU-PZEOVBFPSA-N |
Product Overview
7alpha-Acetoxyroylenane (CAS 68366-64-3), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: [(4aS)-8-hydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] acetate.
Chemical Property Profile of 7alpha-Acetoxyroylenane
Property Insights of 7alpha-Acetoxyroylenane
The XLogP value of 3.7 indicates that 7alpha-Acetoxyroylenane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7alpha-Acetoxyroylenane. Following Lipinski's Rule of Five, 7alpha-Acetoxyroylenane 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 7alpha-Acetoxyroylenane?
The CAS number of 7alpha-Acetoxyroylenane is 68366-64-3.
What is the molecular formula of 7alpha-Acetoxyroylenane?
The molecular formula of 7alpha-Acetoxyroylenane is C22H30O5.
What is the molecular weight of 7alpha-Acetoxyroylenane?
The molecular weight of 7alpha-Acetoxyroylenane is 374.21 g/mol.
Where can I buy 7alpha-Acetoxyroylenane?
You can request a quote for 7alpha-Acetoxyroylenane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha-Acetoxyroylenane?
Yes, KEHONG BIO provides custom synthesis services for 7alpha-Acetoxyroylenane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.