Phragmalin 3-isobutyrate 30-propionate
TL;DR: Phragmalin 3-isobutyrate 30-propionate (CAS 66884-77-3) is a chemical compound with molecular formula C36H46O13 and molecular weight 686.29 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-4-oxo-20-propanoyloxy-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-ISOBUTYRATE 30-PROPIONATE, 6-(Furan-3-yl)-19-hydroxy-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-20-(propanoyloxy)-5,11,13,21-tetraoxaheptacyclo[10.8.1.1~14,17~.0~1,10~.0~2,7~.0~10,15~.0~14,19~]docosan-18-yl 2-methylpropanoate
| Molecular Formula | C36H46O13 |
|---|---|
| Molecular Weight | 686.29 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 686.2938 |
| Heavy Atoms | 49 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 66884-77-3 |
|---|---|
| SMILES | CCC(=O)OC1C23C4CC(=O)OC(C4(CCC25C6(C(C7(CC6(C1(C7OC(=O)C(C)C)O)OC(O5)(O3)C)C)CC(=O)OC)C)C)C8=COC=C8 |
| InChIKey | KCUHVQNGKXNNCX-UHFFFAOYSA-N |
Product Overview
Phragmalin 3-isobutyrate 30-propionate (CAS 66884-77-3), with molecular formula C36H46O13 and molecular weight 686.29 g/mol. IUPAC: [6-(furan-3-yl)-19-hydroxy-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-20-propanoyloxy-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-isobutyrate 30-propionate
Property Insights of Phragmalin 3-isobutyrate 30-propionate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phragmalin 3-isobutyrate 30-propionate. The TPSA of 166.0 Ų indicates high polarity, suggesting Phragmalin 3-isobutyrate 30-propionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phragmalin 3-isobutyrate 30-propionate 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-isobutyrate 30-propionate?
The CAS number of Phragmalin 3-isobutyrate 30-propionate is 66884-77-3.
What is the molecular formula of Phragmalin 3-isobutyrate 30-propionate?
The molecular formula of Phragmalin 3-isobutyrate 30-propionate is C36H46O13.
What is the molecular weight of Phragmalin 3-isobutyrate 30-propionate?
The molecular weight of Phragmalin 3-isobutyrate 30-propionate is 686.29 g/mol.
Where can I buy Phragmalin 3-isobutyrate 30-propionate?
You can request a quote for Phragmalin 3-isobutyrate 30-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phragmalin 3-isobutyrate 30-propionate?
Yes, KEHONG BIO provides custom synthesis services for Phragmalin 3-isobutyrate 30-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.