Acetomepregenol
TL;DR: Acetomepregenol (CAS 3116-07-2) is a chemical compound with molecular formula C26H36O5 and molecular weight 428.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Acetomepregenol, Diamol, Mepregenol diacetate, mepregenoldiacetate, Mepregnol diacetate
| Molecular Formula | C26H36O5 |
|---|---|
| Molecular Weight | 428.26 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.2563 |
| Heavy Atoms | 31 |
| Complexity | 884.0 |
Chemical Identifiers
| CAS Number | 3116-07-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)OC(=O)C)C |
| InChIKey | SDHHPVPFUVQWKY-AVHYYFBHSA-N |
Product Overview
Acetomepregenol (CAS 3116-07-2), with molecular formula C26H36O5 and molecular weight 428.26 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Acetomepregenol
Property Insights of Acetomepregenol
The XLogP value of 3.8 indicates that Acetomepregenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetomepregenol. Following Lipinski's Rule of Five, Acetomepregenol has 0 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 Acetomepregenol?
The CAS number of Acetomepregenol is 3116-07-2.
What is the molecular formula of Acetomepregenol?
The molecular formula of Acetomepregenol is C26H36O5.
What is the molecular weight of Acetomepregenol?
The molecular weight of Acetomepregenol is 428.26 g/mol.
Where can I buy Acetomepregenol?
You can request a quote for Acetomepregenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetomepregenol?
Yes, KEHONG BIO provides custom synthesis services for Acetomepregenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.