Propanoic acid, 3,3-diethoxy-, ethyl ester
TL;DR: Propanoic acid, 3,3-diethoxy-, ethyl ester (CAS 357262-63-6) is a chemical compound with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
Also Known As: Propanoic acid, 3,3-diethoxy-, ethyl ester, Piperazine, 4-benzoyl-1-(1,2-dioxo-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-2-methyl-, 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-methyl-, 1-(4-benzoyl-2-methyl-piperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
| Molecular Formula | C21H20N4O3 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 2.1187 |
| Topological Polar Surface Area | 86.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.15353 |
| Heavy Atoms | 28 |
| Complexity | 1044.0 |
Chemical Identifiers
| CAS Number | 357262-63-6 |
|---|---|
| SMILES | CC1CN(CCN1C(=O)C(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC=CC=C4 |
Product Overview
Propanoic acid, 3,3-diethoxy-, ethyl ester (CAS 357262-63-6), with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol. IUPAC: 1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione.
Chemical Property Profile of Propanoic acid, 3,3-diethoxy-, ethyl ester
Property Insights of Propanoic acid, 3,3-diethoxy-, ethyl ester
The XLogP value of 2.1187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3,3-diethoxy-, ethyl ester. The TPSA of 86.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3,3-diethoxy-, ethyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3,3-diethoxy-, ethyl ester has 1 hydrogen bond donor(s) and 4 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 Propanoic acid, 3,3-diethoxy-, ethyl ester?
The CAS number of Propanoic acid, 3,3-diethoxy-, ethyl ester is 357262-63-6.
What is the molecular formula of Propanoic acid, 3,3-diethoxy-, ethyl ester?
The molecular formula of Propanoic acid, 3,3-diethoxy-, ethyl ester is C21H20N4O3.
What is the molecular weight of Propanoic acid, 3,3-diethoxy-, ethyl ester?
The molecular weight of Propanoic acid, 3,3-diethoxy-, ethyl ester is 376.15 g/mol.
Where can I buy Propanoic acid, 3,3-diethoxy-, ethyl ester?
You can request a quote for Propanoic acid, 3,3-diethoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3,3-diethoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3-diethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.