华蟾素
TL;DR: 华蟾素 (CAS 1108-68-5) is a chemical compound with molecular formula C26H34O7 and molecular weight 458.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
华蟾素
[(2S,4R,5R,6R,7R,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Also Known As: Cinobufotalin, CINOBUFOTLIN, [(2S,4R,5R,6R,7R,11R,14S,16S)-14,16-Dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate, 14,15-beta-epoxy-3-beta,5,16-beta-trihydroxy-5-beta-bufa-20,22-dienolide 16-acetate, (3-beta,5-beta,15-beta,16-beta)-16-(Acetyloxy)-14,15-epoxy-3,5-dihydroxybufa-20,22-dienolide
| Molecular Formula | C26H34O7 |
|---|---|
| Molecular Weight | 458.23 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.23044 |
| Heavy Atoms | 33 |
| Complexity | 972.0 |
Chemical Identifiers
| CAS Number | 1108-68-5 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@]2(CCC3C([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6 |
| InChIKey | KBKUJJFDSHBPPA-JTZFMNKUSA-N |
Product Overview
华蟾素 (CAS 1108-68-5), with molecular formula C26H34O7 and molecular weight 458.23 g/mol. IUPAC: [(2S,4R,5R,6R,7R,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate.
Chemical Property Profile of 华蟾素
Property Insights of 华蟾素
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 华蟾素. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 华蟾素. Following Lipinski's Rule of Five, 华蟾素 has 2 hydrogen bond donor(s) and 7 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 华蟾素?
The CAS number of 华蟾素 is 1108-68-5.
What is the molecular formula of 华蟾素?
The molecular formula of 华蟾素 is C26H34O7.
What is the molecular weight of 华蟾素?
The molecular weight of 华蟾素 is 458.23 g/mol.
Where can I buy 华蟾素?
You can request a quote for 华蟾素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 华蟾素?
Yes, KEHONG BIO provides custom synthesis services for 华蟾素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.