3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester
TL;DR: 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester (CAS 54972-15-5) is a chemical compound with molecular formula C6H10N2O4 and molecular weight 174.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-methyldiaziridine-3,3-dicarboxylate
Also Known As: 1-Methyl-3,3-diaziridinedicarboxylic acid dimethyl ester, dimethyl 1-methyldiaziridine-3,3-dicarboxylate, 1-Methyl-3,3-bis(carbmethoxy)diaziridine, 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester, Dimethyl 1-methyl-3,3-diaziridinedicarboxylate #
| Molecular Formula | C6H10N2O4 |
|---|---|
| Molecular Weight | 174.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.06406 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 54972-15-5 |
|---|---|
| SMILES | CN1C(N1)(C(=O)OC)C(=O)OC |
| InChIKey | OFMRSMZKZLPANF-UHFFFAOYSA-N |
Product Overview
3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester (CAS 54972-15-5), with molecular formula C6H10N2O4 and molecular weight 174.06 g/mol. IUPAC: dimethyl 1-methyldiaziridine-3,3-dicarboxylate.
Chemical Property Profile of 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester
Property Insights of 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester
The XLogP value of -0.2 indicates that 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester. Following Lipinski's Rule of Five, 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester has 1 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 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester?
The CAS number of 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester is 54972-15-5.
What is the molecular formula of 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester?
The molecular formula of 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester is C6H10N2O4.
What is the molecular weight of 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester?
The molecular weight of 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester is 174.06 g/mol.
Where can I buy 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester?
You can request a quote for 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diaziridinedicarboxylic acid, 1-methyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.