Methyl 2-(aziridine-1-carbonylamino)benzoate
TL;DR: Methyl 2-(aziridine-1-carbonylamino)benzoate (CAS 72115-31-2) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(aziridine-1-carbonylamino)benzoate
Also Known As: methyl 2-(aziridine-1-carbonylamino)benzoate, Methyl 2-(aziridine-1-carboxamido)benzoate
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 72115-31-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)N2CC2 |
| InChIKey | QAPNMUQRTRTWNN-UHFFFAOYSA-N |
Product Overview
Methyl 2-(aziridine-1-carbonylamino)benzoate (CAS 72115-31-2), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: methyl 2-(aziridine-1-carbonylamino)benzoate.
Chemical Property Profile of Methyl 2-(aziridine-1-carbonylamino)benzoate
Property Insights of Methyl 2-(aziridine-1-carbonylamino)benzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(aziridine-1-carbonylamino)benzoate. With a topological polar surface area (TPSA) of 58.4 Ų, Methyl 2-(aziridine-1-carbonylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(aziridine-1-carbonylamino)benzoate has 1 hydrogen bond donor(s) and 3 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 Methyl 2-(aziridine-1-carbonylamino)benzoate?
The CAS number of Methyl 2-(aziridine-1-carbonylamino)benzoate is 72115-31-2.
What is the molecular formula of Methyl 2-(aziridine-1-carbonylamino)benzoate?
The molecular formula of Methyl 2-(aziridine-1-carbonylamino)benzoate is C11H12N2O3.
What is the molecular weight of Methyl 2-(aziridine-1-carbonylamino)benzoate?
The molecular weight of Methyl 2-(aziridine-1-carbonylamino)benzoate is 220.08 g/mol.
Where can I buy Methyl 2-(aziridine-1-carbonylamino)benzoate?
You can request a quote for Methyl 2-(aziridine-1-carbonylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(aziridine-1-carbonylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(aziridine-1-carbonylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.