7alpha-Acetoxyroyleanone
TL;DR: 7alpha-Acetoxyroyleanone (CAS 77794-82-2) 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.
(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-Acetoxyroyleanone, 7alpha-acetoxyroylenane, 7.alpha.-Acetoxyroyleanone, 12-Hydroxy-11,14-dioxoabieta-8,12-dien-7-yl acetate, Podocarpa-8,12-diene-11,14-dione, 7,12-dihydroxy-13-isopropyl-, 7-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 | 77794-82-2 |
|---|---|
| SMILES | CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2OC(=O)C)(C)C)C)O |
| InChIKey | MNEJUZVNGNCLJU-UHFFFAOYSA-N |
Product Overview
7alpha-Acetoxyroyleanone (CAS 77794-82-2), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: (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-Acetoxyroyleanone
Property Insights of 7alpha-Acetoxyroyleanone
The XLogP value of 3.7 indicates that 7alpha-Acetoxyroyleanone 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-Acetoxyroyleanone. Following Lipinski's Rule of Five, 7alpha-Acetoxyroyleanone 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-Acetoxyroyleanone?
The CAS number of 7alpha-Acetoxyroyleanone is 77794-82-2.
What is the molecular formula of 7alpha-Acetoxyroyleanone?
The molecular formula of 7alpha-Acetoxyroyleanone is C22H30O5.
What is the molecular weight of 7alpha-Acetoxyroyleanone?
The molecular weight of 7alpha-Acetoxyroyleanone is 374.21 g/mol.
Where can I buy 7alpha-Acetoxyroyleanone?
You can request a quote for 7alpha-Acetoxyroyleanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha-Acetoxyroyleanone?
Yes, KEHONG BIO provides custom synthesis services for 7alpha-Acetoxyroyleanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.