核黄素四丁酸酯
TL;DR: 核黄素四丁酸酯 (CAS 752-56-7) is a chemical compound with molecular formula C33H44N4O10 and molecular weight 656.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
核黄素四丁酸酯
[2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoate
Also Known As: Riboflavin tetrabutyrate, Hibon, Bituvitan, Lacflavin, Ribolact
| Molecular Formula | C33H44N4O10 |
|---|---|
| Molecular Weight | 656.31 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 21 |
| Exact Mass | 656.3057 |
| Heavy Atoms | 47 |
| Complexity | 1230.0 |
| Melting Point | 149 °C |
Chemical Identifiers
| CAS Number | 752-56-7 |
|---|---|
| SMILES | CCCC(=O)OCC(C(C(CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC |
| InChIKey | MJNIWUJSIGSWKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
核黄素四丁酸酯 (CAS 752-56-7), with molecular formula C33H44N4O10 and molecular weight 656.31 g/mol. IUPAC: [2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoate.
Chemical Property Profile of 核黄素四丁酸酯
Property Insights of 核黄素四丁酸酯
The XLogP value of 4.1 indicates that 核黄素四丁酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting 核黄素四丁酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 核黄素四丁酸酯 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 核黄素四丁酸酯?
The CAS number of 核黄素四丁酸酯 is 752-56-7.
What is the molecular formula of 核黄素四丁酸酯?
The molecular formula of 核黄素四丁酸酯 is C33H44N4O10.
What is the molecular weight of 核黄素四丁酸酯?
The molecular weight of 核黄素四丁酸酯 is 656.31 g/mol.
Where can I buy 核黄素四丁酸酯?
You can request a quote for 核黄素四丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 核黄素四丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 核黄素四丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.