RefChem:326869
TL;DR: RefChem:326869 (CAS 55798-61-3) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.13 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-hydroxybenzoate
Also Known As: Benzoic acid, 2-hydroxy-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester, 3,3-Diethyl-5-(2-hydroxybenzoyloxymethyl)-2,4-pyridinedione, 2-Hydroxybenzoic acid (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-hydroxybenzoate, (5,5-Diethyl-4,6-dioxo-1,4,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxybenzoate
| Molecular Formula | C17H19NO5 |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.1263 |
| Heavy Atoms | 23 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 55798-61-3 |
|---|---|
| SMILES | CCC1(C(=O)C(=CNC1=O)COC(=O)C2=CC=CC=C2O)CC |
| InChIKey | JPGZVCJOEUQNOE-UHFFFAOYSA-N |
Product Overview
RefChem:326869 (CAS 55798-61-3), with molecular formula C17H19NO5 and molecular weight 317.13 g/mol. IUPAC: (5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2-hydroxybenzoate.
Chemical Property Profile of RefChem:326869
Property Insights of RefChem:326869
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326869. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326869. Following Lipinski's Rule of Five, RefChem:326869 has 2 hydrogen bond donor(s) and 5 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:326869?
The CAS number of RefChem:326869 is 55798-61-3.
What is the molecular formula of RefChem:326869?
The molecular formula of RefChem:326869 is C17H19NO5.
What is the molecular weight of RefChem:326869?
The molecular weight of RefChem:326869 is 317.13 g/mol.
Where can I buy RefChem:326869?
You can request a quote for RefChem:326869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326869?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.