COFFEE EXTRACT
TL;DR: COFFEE EXTRACT (CAS 84650-00-0) is a chemical compound with molecular formula C25H28N6O7 and molecular weight 524.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
furan;1-methylpyridin-1-ium-3-carboxylate;pyridine-3-carboxylic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione
Also Known As: COFFEE EXTRACT, Coffee, Extract of coffee, Coffee bean extract, Coffea arabica extract
| Molecular Formula | C25H28N6O7 |
|---|---|
| Molecular Weight | 524.20 g/mol |
| LogP | 0.1126 |
| Topological Polar Surface Area | 163.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 524.20197 |
| Heavy Atoms | 38 |
| Complexity | 1232.887 |
Chemical Identifiers
| CAS Number | 84650-00-0 |
|---|---|
| SMILES | CN1C=NC2C1C(=O)N(C(=O)N2C)C.C[N+]1=CC=CC(=C1)C(=O)[O-].C1=COC=C1.C1=CC(=CN=C1)C(=O)O |
Product Overview
COFFEE EXTRACT (CAS 84650-00-0), with molecular formula C25H28N6O7 and molecular weight 524.20 g/mol. IUPAC: furan;1-methylpyridin-1-ium-3-carboxylate;pyridine-3-carboxylic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione.
Chemical Property Profile of COFFEE EXTRACT
Property Insights of COFFEE EXTRACT
The XLogP value of 0.1126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for COFFEE EXTRACT. The TPSA of 163.56 Ų indicates high polarity, suggesting COFFEE EXTRACT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, COFFEE EXTRACT has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of COFFEE EXTRACT?
The CAS number of COFFEE EXTRACT is 84650-00-0.
What is the molecular formula of COFFEE EXTRACT?
The molecular formula of COFFEE EXTRACT is C25H28N6O7.
What is the molecular weight of COFFEE EXTRACT?
The molecular weight of COFFEE EXTRACT is 524.20 g/mol.
Where can I buy COFFEE EXTRACT?
You can request a quote for COFFEE EXTRACT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for COFFEE EXTRACT?
Yes, KEHONG BIO provides custom synthesis services for COFFEE EXTRACT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.