3-Oxo-14,15-epoxybufa-20,22-dienolide
TL;DR: 3-Oxo-14,15-epoxybufa-20,22-dienolide (CAS 62799-65-9) is a chemical compound with molecular formula C24H30O4 and molecular weight 382.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-one
Also Known As: 3-Oxo-14,15-epoxybufa-20,22-dienolide, B723341K014 Bufadienolide derivative from Bufo Bufo Gargarizans, 7,11-Dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-one
| Molecular Formula | C24H30O4 |
|---|---|
| Molecular Weight | 382.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.21442 |
| Heavy Atoms | 28 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 62799-65-9 |
|---|---|
| SMILES | CC12CCC(=O)CC1CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C |
| InChIKey | LNIOBQJVCREXJD-UHFFFAOYSA-N |
Product Overview
3-Oxo-14,15-epoxybufa-20,22-dienolide (CAS 62799-65-9), with molecular formula C24H30O4 and molecular weight 382.21 g/mol. IUPAC: 7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-one.
Chemical Property Profile of 3-Oxo-14,15-epoxybufa-20,22-dienolide
Property Insights of 3-Oxo-14,15-epoxybufa-20,22-dienolide
The XLogP value of 3.3 indicates that 3-Oxo-14,15-epoxybufa-20,22-dienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, 3-Oxo-14,15-epoxybufa-20,22-dienolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-14,15-epoxybufa-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-Oxo-14,15-epoxybufa-20,22-dienolide?
The CAS number of 3-Oxo-14,15-epoxybufa-20,22-dienolide is 62799-65-9.
What is the molecular formula of 3-Oxo-14,15-epoxybufa-20,22-dienolide?
The molecular formula of 3-Oxo-14,15-epoxybufa-20,22-dienolide is C24H30O4.
What is the molecular weight of 3-Oxo-14,15-epoxybufa-20,22-dienolide?
The molecular weight of 3-Oxo-14,15-epoxybufa-20,22-dienolide is 382.21 g/mol.
Where can I buy 3-Oxo-14,15-epoxybufa-20,22-dienolide?
You can request a quote for 3-Oxo-14,15-epoxybufa-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-Oxo-14,15-epoxybufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-14,15-epoxybufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.