![3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide structure](/static/products/606/60617-83-6.png)
3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide
TL;DR: 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide (CAS 60617-83-6) is a chemical compound with molecular formula C28H38O7 and molecular weight 486.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
Also Known As: Bufalin 3-hemisuccinate, Bufalin, 3-hemisuccinate, BUFALIN-3-HEMISUCCINATE, 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide, (17xi)-3beta-[(3-Carboxypropanoyl)oxy]-14-hydroxy-5beta-bufa-20,22-dienolide
| Molecular Formula | C28H38O7 |
|---|---|
| Molecular Weight | 486.26 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.26175 |
| Heavy Atoms | 35 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 60617-83-6 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CCC4C5=COC(=O)C=C5)O)C)OC(=O)CCC(=O)O |
| InChIKey | OYIGRQUNGJYTTR-JNBDUFISSA-N |
Product Overview
3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide (CAS 60617-83-6), with molecular formula C28H38O7 and molecular weight 486.26 g/mol. IUPAC: 4-[[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide
Property Insights of 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide
The XLogP value of 3.2 indicates that 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide. Following Lipinski's Rule of Five, 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide 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 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide?
The CAS number of 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide is 60617-83-6.
What is the molecular formula of 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide?
The molecular formula of 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide is C28H38O7.
What is the molecular weight of 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide?
The molecular weight of 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide is 486.26 g/mol.
Where can I buy 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide?
You can request a quote for 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Carboxypropanoyl)oxy]-14-hydroxybufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.