Celastrol
TL;DR: Celastrol (CAS 34157-83-0) is a chemical compound with molecular formula C29H38O4 and molecular weight 450.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
Also Known As: celastrol, Tripterin, Tripterine, Celasterol, triterpene
| Molecular Formula | C29H38O4 |
|---|---|
| Molecular Weight | 450.28 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 450.277 |
| Heavy Atoms | 33 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 34157-83-0 |
|---|---|
| SMILES | CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O |
| InChIKey | KQJSQWZMSAGSHN-JJWQIEBTSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Celastrol (CAS 34157-83-0), with molecular formula C29H38O4 and molecular weight 450.28 g/mol. IUPAC: (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid.
Chemical Property Profile of Celastrol
Property Insights of Celastrol
The XLogP value of 5.9 indicates that Celastrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Celastrol. Following Lipinski's Rule of Five, Celastrol has 2 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 Celastrol?
The CAS number of Celastrol is 34157-83-0.
What is the molecular formula of Celastrol?
The molecular formula of Celastrol is C29H38O4.
What is the molecular weight of Celastrol?
The molecular weight of Celastrol is 450.28 g/mol.
Where can I buy Celastrol?
You can request a quote for Celastrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Celastrol?
Yes, KEHONG BIO provides custom synthesis services for Celastrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.