Protopanaxatriol
TL;DR: Protopanaxatriol (CAS 38727-05-8) is a chemical compound with molecular formula C30H52O4 and molecular weight 476.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6S,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Also Known As: Protopanaxatriol, Protopanaxtriol, 20S-Protopanaxatriol, (20S)-Protopanaxatriol, KST-1A4447
| Molecular Formula | C30H52O4 |
|---|---|
| Molecular Weight | 476.39 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.38657 |
| Heavy Atoms | 34 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 38727-05-8 |
|---|---|
| SMILES | CC(=CCC[C@@](C)([C@H]1CC[C@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O)C |
| InChIKey | SHCBCKBYTHZQGZ-PHFGEWBZSA-N |
Product Overview
Protopanaxatriol (CAS 38727-05-8), with molecular formula C30H52O4 and molecular weight 476.39 g/mol. IUPAC: (3S,5R,6S,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol.
Chemical Property Profile of Protopanaxatriol
Property Insights of Protopanaxatriol
The XLogP value of 5.9 indicates that Protopanaxatriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Protopanaxatriol. Following Lipinski's Rule of Five, Protopanaxatriol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Protopanaxatriol?
The CAS number of Protopanaxatriol is 38727-05-8.
What is the molecular formula of Protopanaxatriol?
The molecular formula of Protopanaxatriol is C30H52O4.
What is the molecular weight of Protopanaxatriol?
The molecular weight of Protopanaxatriol is 476.39 g/mol.
Where can I buy Protopanaxatriol?
You can request a quote for Protopanaxatriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Protopanaxatriol?
Yes, KEHONG BIO provides custom synthesis services for Protopanaxatriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.