Brevetoxin 3
TL;DR: Brevetoxin 3 (CAS 85079-48-7) is a chemical compound with molecular formula C50H72O14 and molecular weight 896.4922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one
Also Known As: Brevetoxin 3, brevetoxin pbtx-3
Technical Specifications
| Molecular Formula | C50H72O14 |
| Molecular Weight | 896.4922 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 896.4922 Da |
| Heavy Atoms | 64 |
| Complexity | 1910.0 |
| SMILES | CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(CC=CC9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)CO)O)C)C)(OC6(CC5)C)C |
| InChIKey | BKMHDYJRAAJTAD-UHFFFAOYSA-N |
Product Description
Applications: Brevetoxin 3 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Brevetoxin 3 (CAS 85079-48-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Brevetoxin 3 is a fine chemical identified by CAS number 85079-48-7 and the molecular formula C50H72O14 and a molecular weight of 896.49 g/mol. It is also known as Brevetoxin 3 and Brevetoxin-3.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Brevetoxin 3
Property Insights of Brevetoxin 3
The XLogP value of 3.8 indicates that Brevetoxin 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting Brevetoxin 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brevetoxin 3 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Brevetoxin 3?
The CAS number of Brevetoxin 3 is 85079-48-7.
What is the molecular formula of Brevetoxin 3?
The molecular formula of Brevetoxin 3 is C50H72O14.
What is the molecular weight of Brevetoxin 3?
The molecular weight of Brevetoxin 3 is 896.4922 g/mol.
What are the applications of Brevetoxin 3?
Brevetoxin 3 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Brevetoxin 3 (CAS 85079-48-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Brevetoxin 3?
You can request a quote for Brevetoxin 3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Brevetoxin 3?
Yes, CoreyChem provides custom synthesis services for Brevetoxin 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.