3,14-Dihydroxy-19-oxobufa-20,22-dienolide
TL;DR: 3,14-Dihydroxy-19-oxobufa-20,22-dienolide (CAS 4980-53-4) is a chemical compound with molecular formula C24H32O5 and molecular weight 400.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10R,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Bovogenin A, KST-1A5071, 3,14-Dihydroxy-19-oxobufa-20,22-dienolide, (3, A,5
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 4980-53-4 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)C=O |
| InChIKey | STSJQAAJJHGCMJ-NJAYUKRKSA-N |
Product Overview
3,14-Dihydroxy-19-oxobufa-20,22-dienolide (CAS 4980-53-4), with molecular formula C24H32O5 and molecular weight 400.22 g/mol. IUPAC: (3S,5S,10R,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 3,14-Dihydroxy-19-oxobufa-20,22-dienolide
Property Insights of 3,14-Dihydroxy-19-oxobufa-20,22-dienolide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14-Dihydroxy-19-oxobufa-20,22-dienolide. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14-Dihydroxy-19-oxobufa-20,22-dienolide. Following Lipinski's Rule of Five, 3,14-Dihydroxy-19-oxobufa-20,22-dienolide has 2 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 3,14-Dihydroxy-19-oxobufa-20,22-dienolide?
The CAS number of 3,14-Dihydroxy-19-oxobufa-20,22-dienolide is 4980-53-4.
What is the molecular formula of 3,14-Dihydroxy-19-oxobufa-20,22-dienolide?
The molecular formula of 3,14-Dihydroxy-19-oxobufa-20,22-dienolide is C24H32O5.
What is the molecular weight of 3,14-Dihydroxy-19-oxobufa-20,22-dienolide?
The molecular weight of 3,14-Dihydroxy-19-oxobufa-20,22-dienolide is 400.22 g/mol.
Where can I buy 3,14-Dihydroxy-19-oxobufa-20,22-dienolide?
You can request a quote for 3,14-Dihydroxy-19-oxobufa-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 3,14-Dihydroxy-19-oxobufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3,14-Dihydroxy-19-oxobufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.