Demethylalangiside
TL;DR: Demethylalangiside (CAS 47763-23-5) is a chemical compound with molecular formula C24H29NO10 and molecular weight 491.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-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: Demethylalangiside, Demethylisoalangiside, 7-O-Demethylalangiside, (1R)-1-(3,4-dichlorophenyl)-2-(isopropylamino)ethanol, (1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-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
| Molecular Formula | C24H29NO10 |
|---|---|
| Molecular Weight | 491.18 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.17914 |
| Heavy Atoms | 35 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 47763-23-5 |
|---|---|
| SMILES | C=C[C@@H]1[C@@H]2C[C@@H]3C4=CC(=C(C=C4CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O |
| InChIKey | ODZVWJRTEQQVCO-RJRDEGSCSA-N |
Product Overview
Demethylalangiside (CAS 47763-23-5), with molecular formula C24H29NO10 and molecular weight 491.18 g/mol. IUPAC: (1R,15S,16R,17S)-16-ethenyl-4,5-dihydroxy-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 Demethylalangiside
Property Insights of Demethylalangiside
The XLogP value of -0.5 indicates that Demethylalangiside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting Demethylalangiside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethylalangiside has 6 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 Demethylalangiside?
The CAS number of Demethylalangiside is 47763-23-5.
What is the molecular formula of Demethylalangiside?
The molecular formula of Demethylalangiside is C24H29NO10.
What is the molecular weight of Demethylalangiside?
The molecular weight of Demethylalangiside is 491.18 g/mol.
Where can I buy Demethylalangiside?
You can request a quote for Demethylalangiside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylalangiside?
Yes, KEHONG BIO provides custom synthesis services for Demethylalangiside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.