Pristimerin
TL;DR: Pristimerin (CAS 147605-75-2) is a chemical compound with molecular formula C30H40O4 and molecular weight 464.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (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-carboxylate
Also Known As: Pristimerin, Celastrol methyl ester, Celastrol-methylether, Pristimerine, Pristimerin (Standard)
| Molecular Formula | C30H40O4 |
|---|---|
| Molecular Weight | 464.29 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.29266 |
| Heavy Atoms | 34 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 147605-75-2 |
|---|---|
| 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)OC)C)C)C)C)O |
| InChIKey | JFACETXYABVHFD-WXPPGMDDSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pristimerin (CAS 147605-75-2), with molecular formula C30H40O4 and molecular weight 464.29 g/mol. IUPAC: methyl (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-carboxylate.
Chemical Property Profile of Pristimerin
Property Insights of Pristimerin
The XLogP value of 6.3 indicates that Pristimerin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pristimerin. Following Lipinski's Rule of Five, Pristimerin has 1 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 Pristimerin?
The CAS number of Pristimerin is 147605-75-2.
What is the molecular formula of Pristimerin?
The molecular formula of Pristimerin is C30H40O4.
What is the molecular weight of Pristimerin?
The molecular weight of Pristimerin is 464.29 g/mol.
Where can I buy Pristimerin?
You can request a quote for Pristimerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pristimerin?
Yes, KEHONG BIO provides custom synthesis services for Pristimerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.