ENTANDROPHRAGMIN
TL;DR: ENTANDROPHRAGMIN (CAS 11013-05-1) is a chemical compound with molecular formula C43H56O17 and molecular weight 844.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,6S,8R,9S,13S,17S,18S,20R,22S)-17-(furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-[(2S)-2-methylbutanoyl]oxy-8-(2-methylpropanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate
Also Known As: ENTANDROPHRAGMIN, Propane,2-[(1-chloroethenyl)oxy], [(1R,2S,3S,6S,8R,9S,13S,17S,18S,20R,22S)-17-(Furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-[(2S)-2-methylbutanoyl]oxy-8-(2-methylpropanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate, [(1R,2S,6S,8R,9S,13S,17S,18S,20R,22S)-17-(furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-[(2S)-2-methylbutanoyl]oxy-8-(2-methylpropanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl
| Molecular Formula | C43H56O17 |
|---|---|
| Molecular Weight | 844.35 g/mol |
| LogP | 3.3446 |
| Topological Polar Surface Area | 225.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 844.35175 |
| Heavy Atoms | 60 |
| Complexity | 2070.9255 |
Chemical Identifiers
| CAS Number | 11013-05-1 |
|---|---|
| SMILES | CC[C@H](C)C(=O)O[C@@H]1C[C@]2([C@@H](OC(=O)C[C@@]23[C@]45[C@]1([C@]6([C@H](C7(CC6(C([C@H]4OC(=O)C(C)C)([C@H]7OC(=O)[C@@]8([C@H](O8)C)C)O)O)C)CC(=O)OC)C)OC(O3)(O5)C)C9=COC=C9)C |
Product Overview
ENTANDROPHRAGMIN (CAS 11013-05-1), with molecular formula C43H56O17 and molecular weight 844.35 g/mol. IUPAC: [(1R,2S,6S,8R,9S,13S,17S,18S,20R,22S)-17-(furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-[(2S)-2-methylbutanoyl]oxy-8-(2-methylpropanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate.
Chemical Property Profile of ENTANDROPHRAGMIN
Property Insights of ENTANDROPHRAGMIN
The XLogP value of 3.3446 indicates that ENTANDROPHRAGMIN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.32 Ų indicates high polarity, suggesting ENTANDROPHRAGMIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ENTANDROPHRAGMIN has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ENTANDROPHRAGMIN?
The CAS number of ENTANDROPHRAGMIN is 11013-05-1.
What is the molecular formula of ENTANDROPHRAGMIN?
The molecular formula of ENTANDROPHRAGMIN is C43H56O17.
What is the molecular weight of ENTANDROPHRAGMIN?
The molecular weight of ENTANDROPHRAGMIN is 844.35 g/mol.
Where can I buy ENTANDROPHRAGMIN?
You can request a quote for ENTANDROPHRAGMIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ENTANDROPHRAGMIN?
Yes, KEHONG BIO provides custom synthesis services for ENTANDROPHRAGMIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.