地黄苷元
TL;DR: 地黄苷元 (CAS 1672-46-4) is a chemical compound with molecular formula C23H34O5 and molecular weight 390.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地黄苷元
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Digoxigenin, Lanadigenin, Digoxigenine, Lanadigigenin, Digoxigenin CRS
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 718.0 |
| Melting Point | 222 °C |
| Solubility | Very soluble in ethanol and methanol; slightly soluble in chloroform |
Chemical Identifiers
| CAS Number | 1672-46-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O |
| InChIKey | SHIBSTMRCDJXLN-KCZCNTNESA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地黄苷元 (CAS 1672-46-4), with molecular formula C23H34O5 and molecular weight 390.24 g/mol. IUPAC: 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 地黄苷元
Property Insights of 地黄苷元
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地黄苷元. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 地黄苷元. Following Lipinski's Rule of Five, 地黄苷元 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 地黄苷元?
The CAS number of 地黄苷元 is 1672-46-4.
What is the molecular formula of 地黄苷元?
The molecular formula of 地黄苷元 is C23H34O5.
What is the molecular weight of 地黄苷元?
The molecular weight of 地黄苷元 is 390.24 g/mol.
Where can I buy 地黄苷元?
You can request a quote for 地黄苷元 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地黄苷元?
Yes, KEHONG BIO provides custom synthesis services for 地黄苷元 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.