Wilforlide B
TL;DR: Wilforlide B (CAS 84104-70-1) is a chemical compound with molecular formula C30H44O3 and molecular weight 452.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5S,6R,9R,14R,15R,19S,21R)-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-ene-11,22-dione
Also Known As: Wilforlide B, welforlide B, 4-formyl-3-hydroxy-Benzonitrile, HY-N9390, EX-A10278
| Molecular Formula | C30H44O3 |
|---|---|
| Molecular Weight | 452.33 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 452.32904 |
| Heavy Atoms | 33 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 84104-70-1 |
|---|---|
| SMILES | C[C@]12CCC(=O)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 |
| InChIKey | SNNNDALPPUPEKW-RSWVLDSRSA-N |
Product Overview
Wilforlide B (CAS 84104-70-1), with molecular formula C30H44O3 and molecular weight 452.33 g/mol. IUPAC: (1R,2R,5S,6R,9R,14R,15R,19S,21R)-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-ene-11,22-dione.
Chemical Property Profile of Wilforlide B
Property Insights of Wilforlide B
The XLogP value of 6.6 indicates that Wilforlide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Wilforlide B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Wilforlide B has 0 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 B?
The CAS number of Wilforlide B is 84104-70-1.
What is the molecular formula of Wilforlide B?
The molecular formula of Wilforlide B is C30H44O3.
What is the molecular weight of Wilforlide B?
The molecular weight of Wilforlide B is 452.33 g/mol.
Where can I buy Wilforlide B?
You can request a quote for Wilforlide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wilforlide B?
Yes, KEHONG BIO provides custom synthesis services for Wilforlide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.