3-(Acetyloxy)carda-14,20(22)-dienolide
TL;DR: 3-(Acetyloxy)carda-14,20(22)-dienolide (CAS 42914-77-2) is a chemical compound with molecular formula C25H34O4 and molecular weight 398.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3-(acetyloxy)carda-14,20(22)-dienolide, [10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, RefChem:275040
| Molecular Formula | C25H34O4 |
|---|---|
| Molecular Weight | 398.25 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.2457 |
| Heavy Atoms | 29 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 42914-77-2 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3=CCC4C5=CC(=O)OC5)C)C |
| InChIKey | CKFRUFAILBIDGU-UHFFFAOYSA-N |
Product Overview
3-(Acetyloxy)carda-14,20(22)-dienolide (CAS 42914-77-2), with molecular formula C25H34O4 and molecular weight 398.25 g/mol. IUPAC: [10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 3-(Acetyloxy)carda-14,20(22)-dienolide
Property Insights of 3-(Acetyloxy)carda-14,20(22)-dienolide
The XLogP value of 4.6 indicates that 3-(Acetyloxy)carda-14,20(22)-dienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(Acetyloxy)carda-14,20(22)-dienolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Acetyloxy)carda-14,20(22)-dienolide has 0 hydrogen bond donor(s) and 4 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 3-(Acetyloxy)carda-14,20(22)-dienolide?
The CAS number of 3-(Acetyloxy)carda-14,20(22)-dienolide is 42914-77-2.
What is the molecular formula of 3-(Acetyloxy)carda-14,20(22)-dienolide?
The molecular formula of 3-(Acetyloxy)carda-14,20(22)-dienolide is C25H34O4.
What is the molecular weight of 3-(Acetyloxy)carda-14,20(22)-dienolide?
The molecular weight of 3-(Acetyloxy)carda-14,20(22)-dienolide is 398.25 g/mol.
Where can I buy 3-(Acetyloxy)carda-14,20(22)-dienolide?
You can request a quote for 3-(Acetyloxy)carda-14,20(22)-dienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetyloxy)carda-14,20(22)-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)carda-14,20(22)-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.