Aziridinecarboxylic acid, butyl ester
TL;DR: Aziridinecarboxylic acid, butyl ester (CAS 671-53-4) 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.
butyl aziridine-1-carboxylate
Also Known As: Butyl aziridinylformate, butyl aziridine-1-carboxylate, AZIRIDINECARBOXYLIC ACID, BUTYL ESTER, Carbamic acid, N,N-ethylene-, butyl ester, 1-Aziridinecarboxylicacidbutylester
| Molecular Formula | C7H13NO2 |
|---|---|
| Molecular Weight | 143.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 143.09464 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 671-53-4 |
|---|---|
| SMILES | CCCCOC(=O)N1CC1 |
| InChIKey | HRCNGTBLBDTIMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aziridinecarboxylic acid, butyl ester (CAS 671-53-4), with molecular formula C7H13NO2 and molecular weight 143.09 g/mol. IUPAC: butyl aziridine-1-carboxylate.
Chemical Property Profile of Aziridinecarboxylic acid, butyl ester
Property Insights of Aziridinecarboxylic acid, butyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aziridinecarboxylic acid, butyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, Aziridinecarboxylic acid, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aziridinecarboxylic acid, butyl 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, butyl ester?
The CAS number of Aziridinecarboxylic acid, butyl ester is 671-53-4.
What is the molecular formula of Aziridinecarboxylic acid, butyl ester?
The molecular formula of Aziridinecarboxylic acid, butyl ester is C7H13NO2.
What is the molecular weight of Aziridinecarboxylic acid, butyl ester?
The molecular weight of Aziridinecarboxylic acid, butyl ester is 143.09 g/mol.
Where can I buy Aziridinecarboxylic acid, butyl ester?
You can request a quote for Aziridinecarboxylic acid, butyl 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, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Aziridinecarboxylic acid, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.