Tert-butyl 3-(aziridin-1-yl)propanoate
TL;DR: Tert-butyl 3-(aziridin-1-yl)propanoate (CAS 23799-94-2) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(aziridin-1-yl)propanoate
Also Known As: tert-butyl 3-(aziridin-1-yl)propanoate, TERT-BUTYL 3-AZIRIDIN-1-YLPROPANOATE, 1-Aziridinepropanoicacid, 1,1-dimethylethyl ester
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 23799-94-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCN1CC1 |
| InChIKey | ADBQTOTXSWCHJX-UHFFFAOYSA-N |
Product Overview
Tert-butyl 3-(aziridin-1-yl)propanoate (CAS 23799-94-2), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: tert-butyl 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of Tert-butyl 3-(aziridin-1-yl)propanoate
Property Insights of Tert-butyl 3-(aziridin-1-yl)propanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-(aziridin-1-yl)propanoate. With a topological polar surface area (TPSA) of 29.3 Ų, Tert-butyl 3-(aziridin-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-(aziridin-1-yl)propanoate 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 Tert-butyl 3-(aziridin-1-yl)propanoate?
The CAS number of Tert-butyl 3-(aziridin-1-yl)propanoate is 23799-94-2.
What is the molecular formula of Tert-butyl 3-(aziridin-1-yl)propanoate?
The molecular formula of Tert-butyl 3-(aziridin-1-yl)propanoate is C9H17NO2.
What is the molecular weight of Tert-butyl 3-(aziridin-1-yl)propanoate?
The molecular weight of Tert-butyl 3-(aziridin-1-yl)propanoate is 171.13 g/mol.
Where can I buy Tert-butyl 3-(aziridin-1-yl)propanoate?
You can request a quote for Tert-butyl 3-(aziridin-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-(aziridin-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-(aziridin-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.