Aziridinecarboxylic acid, isopropyl ester
TL;DR: Aziridinecarboxylic acid, isopropyl ester (CAS 671-52-3) is a chemical compound with molecular formula C6H11NO2 and molecular weight 129.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl aziridine-1-carboxylate
Also Known As: Isopropyl aziridinylformate, propan-2-yl aziridine-1-carboxylate, AZIRIDINECARBOXYLIC ACID, ISOPROPYL ESTER, Carbamic acid, N,N-ethylene-, isopropyl ester, 1-Aziridinecarboxylic acid, 1-methylethyl ester
| Molecular Formula | C6H11NO2 |
|---|---|
| Molecular Weight | 129.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.07898 |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 671-52-3 |
|---|---|
| SMILES | CC(C)OC(=O)N1CC1 |
| InChIKey | QRHKUWPDXPZWDX-UHFFFAOYSA-N |
Product Overview
Aziridinecarboxylic acid, isopropyl ester (CAS 671-52-3), with molecular formula C6H11NO2 and molecular weight 129.08 g/mol. IUPAC: propan-2-yl aziridine-1-carboxylate.
Chemical Property Profile of Aziridinecarboxylic acid, isopropyl ester
Property Insights of Aziridinecarboxylic acid, isopropyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aziridinecarboxylic acid, isopropyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, Aziridinecarboxylic acid, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aziridinecarboxylic acid, isopropyl ester has 0 hydrogen bond donor(s) and 2 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 Aziridinecarboxylic acid, isopropyl ester?
The CAS number of Aziridinecarboxylic acid, isopropyl ester is 671-52-3.
What is the molecular formula of Aziridinecarboxylic acid, isopropyl ester?
The molecular formula of Aziridinecarboxylic acid, isopropyl ester is C6H11NO2.
What is the molecular weight of Aziridinecarboxylic acid, isopropyl ester?
The molecular weight of Aziridinecarboxylic acid, isopropyl ester is 129.08 g/mol.
Where can I buy Aziridinecarboxylic acid, isopropyl ester?
You can request a quote for Aziridinecarboxylic acid, isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aziridinecarboxylic acid, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Aziridinecarboxylic acid, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.