RefChem:1067691
TL;DR: RefChem:1067691 (CAS 106036-81-1) is a chemical compound with molecular formula C13H17N3O3 and molecular weight 263.12698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-methyl-3-(1-phenylethylcarbamoyl)diaziridine-3-carboxylate
Also Known As: 5-25-05-00318 (Beilstein Handbook Reference), 3-Diaziridinecarboxylic acid, 1-methyl-3-(((1-phenylethyl)amino)carbonyl)-, methyl ester, 1-Methyl-3-(((1-phenylethyl)amino)carbonyl)-3-diaziridinedicarboxylic acid methyl ester, methyl 1-methyl-3-(1-phenylethylcarbamoyl)diaziridine-3-carboxylate, 3-(Methoxycarbonyl)-1-methyl-N-(1-phenylethyl)diaziridine-3-carboximidic acid
Technical Specifications
| Molecular Formula | C13H17N3O3 |
| Molecular Weight | 263.12698 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.12698 Da |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
| SMILES | CC(C1=CC=CC=C1)NC(=O)C2(NN2C)C(=O)OC |
| InChIKey | LPUYPPYJBSHXGW-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1067691
Property Insights of RefChem:1067691
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1067691. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1067691. Following Lipinski's Rule of Five, RefChem:1067691 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1067691?
The CAS number of RefChem:1067691 is 106036-81-1.
What is the molecular formula of RefChem:1067691?
The molecular formula of RefChem:1067691 is C13H17N3O3.
What is the molecular weight of RefChem:1067691?
The molecular weight of RefChem:1067691 is 263.12698 g/mol.
Where can I buy RefChem:1067691?
You can request a quote for RefChem:1067691 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1067691?
Yes, CoreyChem provides custom synthesis services for RefChem:1067691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.