RefChem:326778
TL;DR: RefChem:326778 (CAS 55798-60-2) is a chemical compound with molecular formula C19H21NO6 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2-acetyloxybenzoate
Also Known As: 3,3-Diphenyl-5-(2-acetoxybenzoyloxymethyl)-2,4-pyridinedione, Benzoic acid, 2-(acetyloxy)-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester, (5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2-acetyloxybenzoate, (5,5-Diethyl-4,6-dioxo-1,4,5,6-tetrahydropyridin-3-yl)methyl 2-(acetyloxy)benzoate, BENZOIC ACID, 2-(ACETYLOXY)-, (1,4,5,6-TETRAHYDRO-5,5-DIETHYL-4,6-DIOXO-3-PYRIDI
| Molecular Formula | C19H21NO6 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.1369 |
| Heavy Atoms | 26 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 55798-60-2 |
|---|---|
| SMILES | CCC1(C(=O)C(=CNC1=O)COC(=O)C2=CC=CC=C2OC(=O)C)CC |
| InChIKey | KUSBTKTZVSMCOI-UHFFFAOYSA-N |
Product Overview
RefChem:326778 (CAS 55798-60-2), with molecular formula C19H21NO6 and molecular weight 359.14 g/mol. IUPAC: (5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2-acetyloxybenzoate.
Chemical Property Profile of RefChem:326778
Property Insights of RefChem:326778
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326778. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326778. Following Lipinski's Rule of Five, RefChem:326778 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 RefChem:326778?
The CAS number of RefChem:326778 is 55798-60-2.
What is the molecular formula of RefChem:326778?
The molecular formula of RefChem:326778 is C19H21NO6.
What is the molecular weight of RefChem:326778?
The molecular weight of RefChem:326778 is 359.14 g/mol.
Where can I buy RefChem:326778?
You can request a quote for RefChem:326778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326778?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.