Hyoscyamide
TL;DR: Hyoscyamide (CAS 404892-30-4) is a chemical compound with molecular formula C36H36N2O8 and molecular weight 624.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,3Z)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-N,N'-bis[2-(4-hydroxyphenyl)ethyl]butanediamide
Also Known As: Hyoscyamide, Cannabisin G, J1.684.188I, (2Z,3Z)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-N,N'-bis[2-(4-hydroxyphenyl)ethyl]butanediamide, N,N -Bis(4-hydroxyphenethyl)-2,3-bis[(Z)-3-methoxy-4-hydroxybenzylidene]butanediamide
| Molecular Formula | C36H36N2O8 |
|---|---|
| Molecular Weight | 624.25 g/mol |
| LogP | 4.711 |
| Topological Polar Surface Area | 157.58 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.2472 |
| Heavy Atoms | 46 |
| Complexity | 1599.3737 |
Chemical Identifiers
| CAS Number | 404892-30-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C(=O)NCCC2=CC=C(C=C2)O)/C(=C/C3=CC(=C(C=C3)O)OC)/C(=O)NCCC4=CC=C(C=C4)O)O |
Product Overview
Hyoscyamide (CAS 404892-30-4), with molecular formula C36H36N2O8 and molecular weight 624.25 g/mol. IUPAC: (2Z,3Z)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-N,N'-bis[2-(4-hydroxyphenyl)ethyl]butanediamide.
Chemical Property Profile of Hyoscyamide
Property Insights of Hyoscyamide
The XLogP value of 4.711 indicates that Hyoscyamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.58 Ų indicates high polarity, suggesting Hyoscyamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hyoscyamide has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hyoscyamide?
The CAS number of Hyoscyamide is 404892-30-4.
What is the molecular formula of Hyoscyamide?
The molecular formula of Hyoscyamide is C36H36N2O8.
What is the molecular weight of Hyoscyamide?
The molecular weight of Hyoscyamide is 624.25 g/mol.
Where can I buy Hyoscyamide?
You can request a quote for Hyoscyamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hyoscyamide?
Yes, KEHONG BIO provides custom synthesis services for Hyoscyamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.