Dimethyl Aziridine-2,2-dicarboxylate
TL;DR: Dimethyl Aziridine-2,2-dicarboxylate (CAS 98694-45-2) is a chemical compound with molecular formula C6H9NO4 and molecular weight 159.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl aziridine-2,2-dicarboxylate
Also Known As: Dimethyl Aziridine-2,2-dicarboxylate, 2,2-DIMETHYL AZIRIDINE-2,2-DICARBOXYLATE, 2,2-Aziridinedicarboxylicacid,dimethylester, J2.496.000E, Aziridine-2,2-dicarboxylic acid dimethyl ester
| Molecular Formula | C6H9NO4 |
|---|---|
| Molecular Weight | 159.05 g/mol |
| LogP | -1.3256 |
| Topological Polar Surface Area | 74.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.05316 |
| Heavy Atoms | 11 |
| Complexity | 178.75896 |
Chemical Identifiers
| CAS Number | 98694-45-2 |
|---|---|
| SMILES | COC(=O)C1(CN1)C(=O)OC |
Product Overview
Dimethyl Aziridine-2,2-dicarboxylate (CAS 98694-45-2), with molecular formula C6H9NO4 and molecular weight 159.05 g/mol. IUPAC: dimethyl aziridine-2,2-dicarboxylate.
Chemical Property Profile of Dimethyl Aziridine-2,2-dicarboxylate
Property Insights of Dimethyl Aziridine-2,2-dicarboxylate
The XLogP value of -1.3256 indicates that Dimethyl Aziridine-2,2-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl Aziridine-2,2-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl Aziridine-2,2-dicarboxylate 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 Dimethyl Aziridine-2,2-dicarboxylate?
The CAS number of Dimethyl Aziridine-2,2-dicarboxylate is 98694-45-2.
What is the molecular formula of Dimethyl Aziridine-2,2-dicarboxylate?
The molecular formula of Dimethyl Aziridine-2,2-dicarboxylate is C6H9NO4.
What is the molecular weight of Dimethyl Aziridine-2,2-dicarboxylate?
The molecular weight of Dimethyl Aziridine-2,2-dicarboxylate is 159.05 g/mol.
Where can I buy Dimethyl Aziridine-2,2-dicarboxylate?
You can request a quote for Dimethyl Aziridine-2,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl Aziridine-2,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl Aziridine-2,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.