14-Hydroxybufa-3,5,20,22-tetraenolide
TL;DR: 14-Hydroxybufa-3,5,20,22-tetraenolide (CAS 545-51-7) is a chemical compound with molecular formula C24H30O3 and molecular weight 366.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Scillaridin A, Scillaridine, Bufogenatetraen-(3,5,20,22)-olid, 14-Hydroxy-bufa-3,5,20,22-tetraenolide, 14-Hydroxybufa-3,5,20,22-tetraenolide
| Molecular Formula | C24H30O3 |
|---|---|
| Molecular Weight | 366.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.21948 |
| Heavy Atoms | 27 |
| Complexity | 802.0 |
Chemical Identifiers
| CAS Number | 545-51-7 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC=C5[C@@]3(CCC=C5)C |
| InChIKey | KBOQXVVZFSWICE-BSKUUKNUSA-N |
Product Overview
14-Hydroxybufa-3,5,20,22-tetraenolide (CAS 545-51-7), with molecular formula C24H30O3 and molecular weight 366.22 g/mol. IUPAC: 5-[(10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-1,2,7,8,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of 14-Hydroxybufa-3,5,20,22-tetraenolide
Property Insights of 14-Hydroxybufa-3,5,20,22-tetraenolide
The XLogP value of 4.3 indicates that 14-Hydroxybufa-3,5,20,22-tetraenolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 14-Hydroxybufa-3,5,20,22-tetraenolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14-Hydroxybufa-3,5,20,22-tetraenolide has 1 hydrogen bond donor(s) and 3 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 14-Hydroxybufa-3,5,20,22-tetraenolide?
The CAS number of 14-Hydroxybufa-3,5,20,22-tetraenolide is 545-51-7.
What is the molecular formula of 14-Hydroxybufa-3,5,20,22-tetraenolide?
The molecular formula of 14-Hydroxybufa-3,5,20,22-tetraenolide is C24H30O3.
What is the molecular weight of 14-Hydroxybufa-3,5,20,22-tetraenolide?
The molecular weight of 14-Hydroxybufa-3,5,20,22-tetraenolide is 366.22 g/mol.
Where can I buy 14-Hydroxybufa-3,5,20,22-tetraenolide?
You can request a quote for 14-Hydroxybufa-3,5,20,22-tetraenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxybufa-3,5,20,22-tetraenolide?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxybufa-3,5,20,22-tetraenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.