Elemadienonic acid
TL;DR: Elemadienonic acid (CAS 28282-25-9) is a chemical compound with molecular formula C30H46O3 and molecular weight 454.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid
Also Known As: beta-Elemonic acid, Elemadienonic acid, Pinicolic acid, b-Elemonic acid, D-Elemic acid
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.34 g/mol |
| LogP | 7.752 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 903.5025 |
Chemical Identifiers
| CAS Number | 28282-25-9 |
|---|---|
| SMILES | CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C |
Product Overview
Elemadienonic acid (CAS 28282-25-9), with molecular formula C30H46O3 and molecular weight 454.34 g/mol. IUPAC: 6-methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid.
Chemical Property Profile of Elemadienonic acid
Property Insights of Elemadienonic acid
The XLogP value of 7.752 indicates that Elemadienonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, Elemadienonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Elemadienonic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elemadienonic acid?
The CAS number of Elemadienonic acid is 28282-25-9.
What is the molecular formula of Elemadienonic acid?
The molecular formula of Elemadienonic acid is C30H46O3.
What is the molecular weight of Elemadienonic acid?
The molecular weight of Elemadienonic acid is 454.34 g/mol.
Where can I buy Elemadienonic acid?
You can request a quote for Elemadienonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elemadienonic acid?
Yes, KEHONG BIO provides custom synthesis services for Elemadienonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.