Phragmalin 3,30-diisobutyrate
TL;DR: Phragmalin 3,30-diisobutyrate (CAS 66939-94-4) is a chemical compound with molecular formula C37H48O13 and molecular weight 700.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(furan-3-yl)-19-hydroxy-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-20-(2-methylpropanoyloxy)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-18-yl] 2-methylpropanoate
Also Known As: PHRAGMALIN 3,30-DIISOBUTYRATE, 6-(Furan-3-yl)-19-hydroxy-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.1~14,17~.0~1,10~.0~2,7~.0~10,15~.0~14,19~]docosane-18,20-diyl bis(2-methylpropanoate)
| Molecular Formula | C37H48O13 |
|---|---|
| Molecular Weight | 700.31 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 700.3095 |
| Heavy Atoms | 50 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 66939-94-4 |
|---|---|
| SMILES | CC(C)C(=O)OC1C2(CC34C1(C(C56C7CC(=O)OC(C7(CCC5(C3(C2CC(=O)OC)C)OC(O4)(O6)C)C)C8=COC=C8)OC(=O)C(C)C)O)C |
| InChIKey | MBTCJFPZNOOGKO-UHFFFAOYSA-N |
Product Overview
Phragmalin 3,30-diisobutyrate (CAS 66939-94-4), with molecular formula C37H48O13 and molecular weight 700.31 g/mol. IUPAC: [6-(furan-3-yl)-19-hydroxy-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-20-(2-methylpropanoyloxy)-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-18-yl] 2-methylpropanoate.
Chemical Property Profile of Phragmalin 3,30-diisobutyrate
Property Insights of Phragmalin 3,30-diisobutyrate
The XLogP value of 3.3 indicates that Phragmalin 3,30-diisobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting Phragmalin 3,30-diisobutyrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phragmalin 3,30-diisobutyrate has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phragmalin 3,30-diisobutyrate?
The CAS number of Phragmalin 3,30-diisobutyrate is 66939-94-4.
What is the molecular formula of Phragmalin 3,30-diisobutyrate?
The molecular formula of Phragmalin 3,30-diisobutyrate is C37H48O13.
What is the molecular weight of Phragmalin 3,30-diisobutyrate?
The molecular weight of Phragmalin 3,30-diisobutyrate is 700.31 g/mol.
Where can I buy Phragmalin 3,30-diisobutyrate?
You can request a quote for Phragmalin 3,30-diisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phragmalin 3,30-diisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Phragmalin 3,30-diisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.