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Diethyl 2-[(tert-butylamino)methylidene]propanedioate
TL;DR: Diethyl 2-[(tert-butylamino)methylidene]propanedioate (CAS 55274-89-0) is a chemical compound with molecular formula C12H21NO4 and molecular weight 243.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(tert-butylamino)methylidene]propanedioate
Also Known As: diethyl 2-[(tert-butylamino)methylidene]propanedioate, Diethyl [(tert-butylamino)methylidene]propanedioate, 3-(3,6-dichloro-pyridazin-4-ylsulfanyl)-pyridazin-4-ylamine
| Molecular Formula | C12H21NO4 |
|---|---|
| Molecular Weight | 243.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 243.14706 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 55274-89-0 |
|---|---|
| SMILES | CCOC(=O)C(=CNC(C)(C)C)C(=O)OCC |
| InChIKey | BLWUJBOCRSJNMT-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[(tert-butylamino)methylidene]propanedioate (CAS 55274-89-0), with molecular formula C12H21NO4 and molecular weight 243.15 g/mol. IUPAC: diethyl 2-[(tert-butylamino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(tert-butylamino)methylidene]propanedioate
Property Insights of Diethyl 2-[(tert-butylamino)methylidene]propanedioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(tert-butylamino)methylidene]propanedioate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(tert-butylamino)methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(tert-butylamino)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-[(tert-butylamino)methylidene]propanedioate?
The CAS number of Diethyl 2-[(tert-butylamino)methylidene]propanedioate is 55274-89-0.
What is the molecular formula of Diethyl 2-[(tert-butylamino)methylidene]propanedioate?
The molecular formula of Diethyl 2-[(tert-butylamino)methylidene]propanedioate is C12H21NO4.
What is the molecular weight of Diethyl 2-[(tert-butylamino)methylidene]propanedioate?
The molecular weight of Diethyl 2-[(tert-butylamino)methylidene]propanedioate is 243.15 g/mol.
Where can I buy Diethyl 2-[(tert-butylamino)methylidene]propanedioate?
You can request a quote for Diethyl 2-[(tert-butylamino)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-[(tert-butylamino)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(tert-butylamino)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.