EINECS 248-881-2
TL;DR: EINECS 248-881-2 (CAS 29108-89-2) is a chemical compound with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E,3E)-3-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)prop-1-enyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
Also Known As: EINECS 248-881-2, 5-(3-(5-Cyano-1-ethyl-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)prop-1-en-1-yl)-1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 5-[3-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2h)-ylidene)prop-1-en-1-yl]-1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 5-[(E,3E)-3-(5-cyano-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)prop-1-enyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile, 5-[3-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene)prop-1-en-1-yl]-1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C21H20N4O4 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 1.92228 |
| Topological Polar Surface Area | 127.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.14847 |
| Heavy Atoms | 29 |
| Complexity | 1137.1732 |
Chemical Identifiers
| CAS Number | 29108-89-2 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)/C=C/C=C/2\C(=C(C(=O)N(C2=O)CC)C#N)C)O |
Product Overview
EINECS 248-881-2 (CAS 29108-89-2), with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol. IUPAC: 5-[(E,3E)-3-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)prop-1-enyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of EINECS 248-881-2
Property Insights of EINECS 248-881-2
The XLogP value of 1.92228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 248-881-2. The TPSA of 127.19 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 248-881-2. Following Lipinski's Rule of Five, EINECS 248-881-2 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 EINECS 248-881-2?
The CAS number of EINECS 248-881-2 is 29108-89-2.
What is the molecular formula of EINECS 248-881-2?
The molecular formula of EINECS 248-881-2 is C21H20N4O4.
What is the molecular weight of EINECS 248-881-2?
The molecular weight of EINECS 248-881-2 is 392.15 g/mol.
Where can I buy EINECS 248-881-2?
You can request a quote for EINECS 248-881-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 248-881-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 248-881-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.