Bufadienolide derivative
TL;DR: Bufadienolide derivative (CAS 76685-42-2) is a chemical compound with molecular formula C30H40O7 and molecular weight 512.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[14-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] butanoate
Also Known As: Bufadienolide derivative, BUFADIENOLIDE DERIV, 3-(Acetyloxy)-16-(butanoyloxy)-14,15-epoxybufa-20,22-dienolide
| Molecular Formula | C30H40O7 |
|---|---|
| Molecular Weight | 512.28 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.2774 |
| Heavy Atoms | 37 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 76685-42-2 |
|---|---|
| SMILES | CCCC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)OC(=O)C)C)C)C6=COC(=O)C=C6 |
| InChIKey | OGWSUNVMICZIJT-UHFFFAOYSA-N |
Product Overview
Bufadienolide derivative (CAS 76685-42-2), with molecular formula C30H40O7 and molecular weight 512.28 g/mol. IUPAC: [14-acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] butanoate.
Chemical Property Profile of Bufadienolide derivative
Property Insights of Bufadienolide derivative
The XLogP value of 4.7 indicates that Bufadienolide derivative is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bufadienolide derivative. Following Lipinski's Rule of Five, Bufadienolide derivative has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bufadienolide derivative?
The CAS number of Bufadienolide derivative is 76685-42-2.
What is the molecular formula of Bufadienolide derivative?
The molecular formula of Bufadienolide derivative is C30H40O7.
What is the molecular weight of Bufadienolide derivative?
The molecular weight of Bufadienolide derivative is 512.28 g/mol.
Where can I buy Bufadienolide derivative?
You can request a quote for Bufadienolide derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufadienolide derivative?
Yes, KEHONG BIO provides custom synthesis services for Bufadienolide derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.