1-Aziridineacetic acid, alpha-ethyl-, methyl ester
TL;DR: 1-Aziridineacetic acid, alpha-ethyl-, methyl ester (CAS 68083-50-1) is a chemical compound with molecular formula C7H13NO2 and molecular weight 143.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(aziridin-1-yl)butanoate
Also Known As: Methyl 2-(1'-aziridinyl)butyrate, methyl 2-(aziridin-1-yl)butanoate, Methyl alpha-ethylaziridine-1-acetate, methylalpha-ethylaziridine-1-acetate, 1-Aziridineacetic acid, alpha-ethyl-, methyl ester
| Molecular Formula | C7H13NO2 |
|---|---|
| Molecular Weight | 143.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 143.09464 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 68083-50-1 |
|---|---|
| SMILES | CCC(C(=O)OC)N1CC1 |
| InChIKey | SBVKABQEJSQEOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Aziridineacetic acid, alpha-ethyl-, methyl ester (CAS 68083-50-1), with molecular formula C7H13NO2 and molecular weight 143.09 g/mol. IUPAC: methyl 2-(aziridin-1-yl)butanoate.
Chemical Property Profile of 1-Aziridineacetic acid, alpha-ethyl-, methyl ester
Property Insights of 1-Aziridineacetic acid, alpha-ethyl-, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridineacetic acid, alpha-ethyl-, methyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, 1-Aziridineacetic acid, alpha-ethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridineacetic acid, alpha-ethyl-, methyl ester has 0 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 1-Aziridineacetic acid, alpha-ethyl-, methyl ester?
The CAS number of 1-Aziridineacetic acid, alpha-ethyl-, methyl ester is 68083-50-1.
What is the molecular formula of 1-Aziridineacetic acid, alpha-ethyl-, methyl ester?
The molecular formula of 1-Aziridineacetic acid, alpha-ethyl-, methyl ester is C7H13NO2.
What is the molecular weight of 1-Aziridineacetic acid, alpha-ethyl-, methyl ester?
The molecular weight of 1-Aziridineacetic acid, alpha-ethyl-, methyl ester is 143.09 g/mol.
Where can I buy 1-Aziridineacetic acid, alpha-ethyl-, methyl ester?
You can request a quote for 1-Aziridineacetic acid, alpha-ethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aziridineacetic acid, alpha-ethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridineacetic acid, alpha-ethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.