(20S)-Protopanaxadiol-3-one
TL;DR: (20S)-Protopanaxadiol-3-one (CAS 51116-90-6) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: (20S)-Protopanaxadiol-3-one, 12beta,20-Dihydroxydammar-24-en-3-one, (20S)-12beta,20-Dihydroxydammara-24-ene-3-one, 12beta,20-Dihydroxy-5alpha-dammar-24-en-3-one, (1S,3aR,3bR,5aR,9aR,9bR,11R,11aR)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 6.7088 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 820.3984 |
Chemical Identifiers
| CAS Number | 51116-90-6 |
|---|---|
| SMILES | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)O)C)O)C |
Product Overview
(20S)-Protopanaxadiol-3-one (CAS 51116-90-6), with molecular formula C30H50O3 and molecular weight 458.38 g/mol. IUPAC: (5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of (20S)-Protopanaxadiol-3-one
Property Insights of (20S)-Protopanaxadiol-3-one
The XLogP value of 6.7088 indicates that (20S)-Protopanaxadiol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, (20S)-Protopanaxadiol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (20S)-Protopanaxadiol-3-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (20S)-Protopanaxadiol-3-one?
The CAS number of (20S)-Protopanaxadiol-3-one is 51116-90-6.
What is the molecular formula of (20S)-Protopanaxadiol-3-one?
The molecular formula of (20S)-Protopanaxadiol-3-one is C30H50O3.
What is the molecular weight of (20S)-Protopanaxadiol-3-one?
The molecular weight of (20S)-Protopanaxadiol-3-one is 458.38 g/mol.
Where can I buy (20S)-Protopanaxadiol-3-one?
You can request a quote for (20S)-Protopanaxadiol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (20S)-Protopanaxadiol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (20S)-Protopanaxadiol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.