RefChem:326987
TL;DR: RefChem:326987 (CAS 55798-57-7) is a chemical compound with molecular formula C20H25NO7 and molecular weight 391.16 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 3,4,5-trimethoxybenzoate
Also Known As: 3,3-Diethyl-5-(3,4,5-trimethoxybenzoyloxymethyl)-2,4-pyridinedione, Benzoic acid, 3,4,5-trimethoxy-, (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 3,4,5-trimethoxybenzoate, (5,5-Diethyl-4,6-dioxo-1,4,5,6-tetrahydropyridin-3-yl)methyl 3,4,5-trimethoxybenzoate, BENZOIC ACID, 3,4,5-TRIMETHOXY-, (1,4,5,6-TETRAHYDRO-5,5-DIETHYL-4,6-DIOXO-3-PYR
| Molecular Formula | C20H25NO7 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 391.16312 |
| Heavy Atoms | 28 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 55798-57-7 |
|---|---|
| SMILES | CCC1(C(=O)C(=CNC1=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC)CC |
| InChIKey | PYPJQQVSWUHBLH-UHFFFAOYSA-N |
Product Overview
RefChem:326987 (CAS 55798-57-7), with molecular formula C20H25NO7 and molecular weight 391.16 g/mol. IUPAC: (5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of RefChem:326987
Property Insights of RefChem:326987
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326987. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326987. Following Lipinski's Rule of Five, RefChem:326987 has 1 hydrogen bond donor(s) and 7 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:326987?
The CAS number of RefChem:326987 is 55798-57-7.
What is the molecular formula of RefChem:326987?
The molecular formula of RefChem:326987 is C20H25NO7.
What is the molecular weight of RefChem:326987?
The molecular weight of RefChem:326987 is 391.16 g/mol.
Where can I buy RefChem:326987?
You can request a quote for RefChem:326987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326987?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.