Propanedioic acid, (4-cyanophenoxy)-, diethyl ester
TL;DR: Propanedioic acid, (4-cyanophenoxy)-, diethyl ester (CAS 124433-97-2) is a chemical compound with molecular formula C14H15NO5 and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(4-cyanophenoxy)propanedioate
Also Known As: Diethyl (4-cyanophenoxy)propanedioate, Propanedioic acid, (4-cyanophenoxy)-, diethyl ester, diethyl 2-(4-cyanophenoxy)propanedioate, RefChem:374445
| Molecular Formula | C14H15NO5 |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 1.43188 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.09503 |
| Heavy Atoms | 20 |
| Complexity | 485.2907 |
Chemical Identifiers
| CAS Number | 124433-97-2 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)OC1=CC=C(C=C1)C#N |
Product Overview
Propanedioic acid, (4-cyanophenoxy)-, diethyl ester (CAS 124433-97-2), with molecular formula C14H15NO5 and molecular weight 277.10 g/mol. IUPAC: diethyl 2-(4-cyanophenoxy)propanedioate.
Chemical Property Profile of Propanedioic acid, (4-cyanophenoxy)-, diethyl ester
Property Insights of Propanedioic acid, (4-cyanophenoxy)-, diethyl ester
The XLogP value of 1.43188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, (4-cyanophenoxy)-, diethyl ester. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, (4-cyanophenoxy)-, diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, (4-cyanophenoxy)-, diethyl ester has 0 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 Propanedioic acid, (4-cyanophenoxy)-, diethyl ester?
The CAS number of Propanedioic acid, (4-cyanophenoxy)-, diethyl ester is 124433-97-2.
What is the molecular formula of Propanedioic acid, (4-cyanophenoxy)-, diethyl ester?
The molecular formula of Propanedioic acid, (4-cyanophenoxy)-, diethyl ester is C14H15NO5.
What is the molecular weight of Propanedioic acid, (4-cyanophenoxy)-, diethyl ester?
The molecular weight of Propanedioic acid, (4-cyanophenoxy)-, diethyl ester is 277.10 g/mol.
Where can I buy Propanedioic acid, (4-cyanophenoxy)-, diethyl ester?
You can request a quote for Propanedioic acid, (4-cyanophenoxy)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, (4-cyanophenoxy)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, (4-cyanophenoxy)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.