Isoalangiside
TL;DR: Isoalangiside (CAS 57128-91-3) is a chemical compound with molecular formula C25H31NO10 and molecular weight 505.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15S,16R,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one
Also Known As: Isoalangiside, Alangiside, (1R)-1-(3,4-dichlorophenyl)-2-(isopropylamino)ethanol, (1S,15S,16R,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one, (11S)-2-Hydroxy-3-methoxy-11beta-(beta-D-glucopyranosyloxy)-12alpha-vinyl-5,11,12,12abeta,13,13aalpha-hexahydro-6H,8H-benzo[a]pyrano[3,4-g]quinolizin-8-one
| Molecular Formula | C25H31NO10 |
|---|---|
| Molecular Weight | 505.19 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.1948 |
| Heavy Atoms | 36 |
| Complexity | 868.0 |
Chemical Identifiers
| CAS Number | 57128-91-3 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H]3C[C@H]4[C@H]([C@@H](OC=C4C(=O)N3CCC2=C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C)O |
| InChIKey | BCYNGTTVQNJTCV-ONGZBVEHSA-N |
Product Overview
Isoalangiside (CAS 57128-91-3), with molecular formula C25H31NO10 and molecular weight 505.19 g/mol. IUPAC: (1S,15S,16R,17S)-16-ethenyl-4-hydroxy-5-methoxy-15-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one.
Chemical Property Profile of Isoalangiside
Property Insights of Isoalangiside
The XLogP value of -0.1 indicates that Isoalangiside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting Isoalangiside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoalangiside has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoalangiside?
The CAS number of Isoalangiside is 57128-91-3.
What is the molecular formula of Isoalangiside?
The molecular formula of Isoalangiside is C25H31NO10.
What is the molecular weight of Isoalangiside?
The molecular weight of Isoalangiside is 505.19 g/mol.
Where can I buy Isoalangiside?
You can request a quote for Isoalangiside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoalangiside?
Yes, KEHONG BIO provides custom synthesis services for Isoalangiside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.