Wilforlide A
TL;DR: Wilforlide A (CAS 84104-71-2) is a chemical compound with molecular formula C30H46O3 and molecular weight 454.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one
Also Known As: Wilforlide A, regelide, wolforlide a, Abruslactone A, Wilforlide-A
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.34 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 84104-71-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@]6(C[C@@H]5OC6=O)C)C)C)C)(C)C)O |
| InChIKey | HHQJBWYXBWOFJY-YLXTXNMFSA-N |
Product Overview
Wilforlide A (CAS 84104-71-2), with molecular formula C30H46O3 and molecular weight 454.34 g/mol. IUPAC: (1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one.
Chemical Property Profile of Wilforlide A
Property Insights of Wilforlide A
The XLogP value of 6.9 indicates that Wilforlide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Wilforlide A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Wilforlide A has 1 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 Wilforlide A?
The CAS number of Wilforlide A is 84104-71-2.
What is the molecular formula of Wilforlide A?
The molecular formula of Wilforlide A is C30H46O3.
What is the molecular weight of Wilforlide A?
The molecular weight of Wilforlide A is 454.34 g/mol.
Where can I buy Wilforlide A?
You can request a quote for Wilforlide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wilforlide A?
Yes, KEHONG BIO provides custom synthesis services for Wilforlide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.