洋地黄皂苷配基
TL;DR: 洋地黄皂苷配基 (CAS 511-34-2) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
洋地黄皂苷配基
(1R,2S,3S,4R,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,15,16-triol
Also Known As: Digitogenin, Digitonin aglycon, Digitogenin [MI], Digitonin, (25R)-5alpha-spirostan-2alpha,3beta,15beta-triol
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 511-34-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)O)C)OC1 |
| InChIKey | COVOPPXLDJVUSC-JPYPKGSXSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
洋地黄皂苷配基 (CAS 511-34-2), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: (1R,2S,3S,4R,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,15,16-triol.
Chemical Property Profile of 洋地黄皂苷配基
Property Insights of 洋地黄皂苷配基
The XLogP value of 4.5 indicates that 洋地黄皂苷配基 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 洋地黄皂苷配基. Following Lipinski's Rule of Five, 洋地黄皂苷配基 has 3 hydrogen bond donor(s) and 5 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 洋地黄皂苷配基?
The CAS number of 洋地黄皂苷配基 is 511-34-2.
What is the molecular formula of 洋地黄皂苷配基?
The molecular formula of 洋地黄皂苷配基 is C27H44O5.
What is the molecular weight of 洋地黄皂苷配基?
The molecular weight of 洋地黄皂苷配基 is 448.32 g/mol.
Where can I buy 洋地黄皂苷配基?
You can request a quote for 洋地黄皂苷配基 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 洋地黄皂苷配基?
Yes, KEHONG BIO provides custom synthesis services for 洋地黄皂苷配基 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.