BUFADIENOLIDE DERIV
TL;DR: BUFADIENOLIDE DERIV (CAS 76675-91-7) is a chemical compound with molecular formula C32H44O7 and molecular weight 540.31 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] hexanoate
Also Known As: BUFADIENOLIDE DERIV, 3-(Acetyloxy)-16-(hexanoyloxy)-14,15-epoxybufa-20,22-dienolide, [14-Acetyloxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] hexanoate
| Molecular Formula | C32H44O7 |
|---|---|
| Molecular Weight | 540.31 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 540.3087 |
| Heavy Atoms | 39 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 76675-91-7 |
|---|---|
| SMILES | CCCCCC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)OC(=O)C)C)C)C6=COC(=O)C=C6 |
| InChIKey | XXRPWIOCLZASPO-UHFFFAOYSA-N |
Product Overview
BUFADIENOLIDE DERIV (CAS 76675-91-7), with molecular formula C32H44O7 and molecular weight 540.31 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] hexanoate.
Chemical Property Profile of BUFADIENOLIDE DERIV
Property Insights of BUFADIENOLIDE DERIV
The XLogP value of 5.8 indicates that BUFADIENOLIDE DERIV 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 DERIV. Following Lipinski's Rule of Five, BUFADIENOLIDE DERIV 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 DERIV?
The CAS number of BUFADIENOLIDE DERIV is 76675-91-7.
What is the molecular formula of BUFADIENOLIDE DERIV?
The molecular formula of BUFADIENOLIDE DERIV is C32H44O7.
What is the molecular weight of BUFADIENOLIDE DERIV?
The molecular weight of BUFADIENOLIDE DERIV is 540.31 g/mol.
Where can I buy BUFADIENOLIDE DERIV?
You can request a quote for BUFADIENOLIDE DERIV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BUFADIENOLIDE DERIV?
Yes, KEHONG BIO provides custom synthesis services for BUFADIENOLIDE DERIV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.