3-O-acetyl-diosgenin
TL;DR: 3-O-acetyl-diosgenin (CAS 1061-89-8) is a chemical compound with molecular formula C26H34N2O5 and molecular weight 454.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate
Also Known As: 3-O-acetyl-diosgenin, Indole, 3-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl-, 3,4,5-trimethoxybenzoate (ester), 4-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate, 3-(N-Ethyl-N-(4-hydroxybutyl)amino)ethylindole 3,4,5-trimethoxybenzoate (ester), Benzoic acid, 3,4,5-trimethoxy-, 4-(N-(2-indol-3-yl)ethyl-N-ethylamino)butyl ester
| Molecular Formula | C26H34N2O5 |
|---|---|
| Molecular Weight | 454.25 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 454.24677 |
| Heavy Atoms | 33 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 1061-89-8 |
|---|---|
| SMILES | CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CNC3=CC=CC=C32 |
| InChIKey | VMXIQTHYNDPIGK-UHFFFAOYSA-N |
Product Overview
3-O-acetyl-diosgenin (CAS 1061-89-8), with molecular formula C26H34N2O5 and molecular weight 454.25 g/mol. IUPAC: 4-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 3-O-acetyl-diosgenin
Property Insights of 3-O-acetyl-diosgenin
The XLogP value of 4.9 indicates that 3-O-acetyl-diosgenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-acetyl-diosgenin. Following Lipinski's Rule of Five, 3-O-acetyl-diosgenin has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-acetyl-diosgenin?
The CAS number of 3-O-acetyl-diosgenin is 1061-89-8.
What is the molecular formula of 3-O-acetyl-diosgenin?
The molecular formula of 3-O-acetyl-diosgenin is C26H34N2O5.
What is the molecular weight of 3-O-acetyl-diosgenin?
The molecular weight of 3-O-acetyl-diosgenin is 454.25 g/mol.
Where can I buy 3-O-acetyl-diosgenin?
You can request a quote for 3-O-acetyl-diosgenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-acetyl-diosgenin?
Yes, KEHONG BIO provides custom synthesis services for 3-O-acetyl-diosgenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.