![Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate structure](/static/products/631/63136-13-0.png)
Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate
TL;DR: Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate (CAS 63136-13-0) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-propan-2-ylanilino)methylidene]propanedioate
Also Known As: i-Propyl-aethylphenylaminoaethylenmalonat, BIM-0044862.P001, diethyl {[(2-isopropylphenyl)amino]methylene}malonate, diethyl 2-[(2-propan-2-ylanilino)methylidene]propanedioate, diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 3.232 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 529.34485 |
Chemical Identifiers
| CAS Number | 63136-13-0 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC=C1C(C)C)C(=O)OCC |
Product Overview
Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate (CAS 63136-13-0), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: diethyl 2-[(2-propan-2-ylanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate
Property Insights of Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate
The XLogP value of 3.232 indicates that Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate. Following Lipinski's Rule of Five, Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate has 1 hydrogen bond donor(s) and 5 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 Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate?
The CAS number of Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate is 63136-13-0.
What is the molecular formula of Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate?
The molecular formula of Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate is C17H23NO4.
What is the molecular weight of Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate?
The molecular weight of Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate is 305.16 g/mol.
Where can I buy Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate?
You can request a quote for Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ({[2-(propan-2-yl)phenyl]amino}methylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.