Methylisoalangiside tetraacetate
TL;DR: Methylisoalangiside tetraacetate (CAS 194033-91-5) is a chemical compound with molecular formula C36H42N2O14 and molecular weight 726.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(1S,18S,19R,20S)-19-ethenyl-6,7-dimethoxy-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy]oxan-2-yl]methyl acetate
Also Known As: Methylisoalangiside tetraacetate, 16alpha-Ethenyl-10,11-dimethoxy-21-oxo-15beta-19,20-didehydro-18-oxayohimban-17beta-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside, 5H-Indolo(2,3-a)pyrano(3,4-g)quinolizin-5-one,1-ethenyl-1,2,7,8,13,13b,14,14a-octahydro-10,11-dimethoxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, (1R,2S,13bS,14aS)-
| Molecular Formula | C36H42N2O14 |
|---|---|
| Molecular Weight | 726.26 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 726.2636 |
| Heavy Atoms | 52 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 194033-91-5 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]3C[C@H]4C5=C(CCN4C(=O)C3=CO2)C6=CC(=C(C=C6N5)OC)OC)C=C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | BTMHCTDJAMRQCV-NHLJGOTMSA-N |
Product Overview
Methylisoalangiside tetraacetate (CAS 194033-91-5), with molecular formula C36H42N2O14 and molecular weight 726.26 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(1S,18S,19R,20S)-19-ethenyl-6,7-dimethoxy-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of Methylisoalangiside tetraacetate
Property Insights of Methylisoalangiside tetraacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylisoalangiside tetraacetate. The TPSA of 187.0 Ų indicates high polarity, suggesting Methylisoalangiside tetraacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methylisoalangiside tetraacetate has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylisoalangiside tetraacetate?
The CAS number of Methylisoalangiside tetraacetate is 194033-91-5.
What is the molecular formula of Methylisoalangiside tetraacetate?
The molecular formula of Methylisoalangiside tetraacetate is C36H42N2O14.
What is the molecular weight of Methylisoalangiside tetraacetate?
The molecular weight of Methylisoalangiside tetraacetate is 726.26 g/mol.
Where can I buy Methylisoalangiside tetraacetate?
You can request a quote for Methylisoalangiside tetraacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylisoalangiside tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for Methylisoalangiside tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.