1-Aziridineacetic acid, methyl ester
TL;DR: 1-Aziridineacetic acid, methyl ester (CAS 14745-52-9) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(aziridin-1-yl)acetate
Also Known As: 1-(Carbomethoxymethyl)aziridine, Methyl 1-aziridineacetate, methyl 2-(aziridin-1-yl)acetate, 1-(Methoxycarbonyl)aziridine, N-(Carbomethoxymethyl)aziridine
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 14745-52-9 |
|---|---|
| SMILES | COC(=O)CN1CC1 |
| InChIKey | VWCXRUKYXADUBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Aziridineacetic acid, methyl ester (CAS 14745-52-9), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: methyl 2-(aziridin-1-yl)acetate.
Chemical Property Profile of 1-Aziridineacetic acid, methyl ester
Property Insights of 1-Aziridineacetic acid, methyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridineacetic acid, methyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, 1-Aziridineacetic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridineacetic acid, 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, methyl ester?
The CAS number of 1-Aziridineacetic acid, methyl ester is 14745-52-9.
What is the molecular formula of 1-Aziridineacetic acid, methyl ester?
The molecular formula of 1-Aziridineacetic acid, methyl ester is C5H9NO2.
What is the molecular weight of 1-Aziridineacetic acid, methyl ester?
The molecular weight of 1-Aziridineacetic acid, methyl ester is 115.06 g/mol.
Where can I buy 1-Aziridineacetic acid, methyl ester?
You can request a quote for 1-Aziridineacetic acid, 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, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridineacetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.