3-Oxobufa-14,20,22-trienolide
TL;DR: 3-Oxobufa-14,20,22-trienolide (CAS 24183-14-0) is a chemical compound with molecular formula C24H30O3 and molecular weight 366.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one
Also Known As: 3-Oxobufa-14,20,22-trienolide, 5-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one
| Molecular Formula | C24H30O3 |
|---|---|
| Molecular Weight | 366.22 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.21948 |
| Heavy Atoms | 27 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 24183-14-0 |
|---|---|
| SMILES | CC12CCC(=O)CC1CCC3C2CCC4(C3=CCC4C5=COC(=O)C=C5)C |
| InChIKey | VKYZAIOQMTVXEU-UHFFFAOYSA-N |
Product Overview
3-Oxobufa-14,20,22-trienolide (CAS 24183-14-0), with molecular formula C24H30O3 and molecular weight 366.22 g/mol. IUPAC: 5-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one.
Chemical Property Profile of 3-Oxobufa-14,20,22-trienolide
Property Insights of 3-Oxobufa-14,20,22-trienolide
The XLogP value of 4.2 indicates that 3-Oxobufa-14,20,22-trienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Oxobufa-14,20,22-trienolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxobufa-14,20,22-trienolide has 0 hydrogen bond donor(s) and 3 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-Oxobufa-14,20,22-trienolide?
The CAS number of 3-Oxobufa-14,20,22-trienolide is 24183-14-0.
What is the molecular formula of 3-Oxobufa-14,20,22-trienolide?
The molecular formula of 3-Oxobufa-14,20,22-trienolide is C24H30O3.
What is the molecular weight of 3-Oxobufa-14,20,22-trienolide?
The molecular weight of 3-Oxobufa-14,20,22-trienolide is 366.22 g/mol.
Where can I buy 3-Oxobufa-14,20,22-trienolide?
You can request a quote for 3-Oxobufa-14,20,22-trienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxobufa-14,20,22-trienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxobufa-14,20,22-trienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.