Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate
TL;DR: Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate (CAS 6308-32-3) is a chemical compound with molecular formula C19H23NO6 and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate
Also Known As: 2-(QUINOLIN-4-YL)ACETALDEHYDE, triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate, J1.055.366K, 1,1,3-TRIETHYL 3-CYANO-2-PHENYL-PROPANE-1,1,3-TRICARBOXYLATE, 2-(Ethoxycarbonyl)-3-phenyl-4-cyanopentanedioic acid diethyl ester
| Molecular Formula | C19H23NO6 |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 361.15253 |
| Heavy Atoms | 26 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 6308-32-3 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC |
| InChIKey | RKEGILHUIYDUHE-UHFFFAOYSA-N |
Product Overview
Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate (CAS 6308-32-3), with molecular formula C19H23NO6 and molecular weight 361.15 g/mol. IUPAC: triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate.
Chemical Property Profile of Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate
Property Insights of Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate has 0 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 Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate?
The CAS number of Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate is 6308-32-3.
What is the molecular formula of Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate?
The molecular formula of Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate is C19H23NO6.
What is the molecular weight of Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate?
The molecular weight of Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate is 361.15 g/mol.
Where can I buy Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate?
You can request a quote for Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 3-cyano-2-phenylpropane-1,1,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.