1-Aziridinepropionic acid, phenethyl ester
TL;DR: 1-Aziridinepropionic acid, phenethyl ester (CAS 99901-04-9) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 3-(aziridin-1-yl)propanoate
Also Known As: 1-AZIRIDINEPROPIONIC ACID, PHENETHYL ESTER, 1-Aziridinepropanoic acid, phenethyl ester, phenethyl 3-(aziridin-1-yl)propanoate, 2-phenylethyl 3-(aziridin-1-yl)propanoate, 1-Aziridinepropionic acid phenethyl ester
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 99901-04-9 |
|---|---|
| SMILES | C1CN1CCC(=O)OCCC2=CC=CC=C2 |
| InChIKey | IUCNLURVPBGBSJ-UHFFFAOYSA-N |
Product Overview
1-Aziridinepropionic acid, phenethyl ester (CAS 99901-04-9), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 2-phenylethyl 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of 1-Aziridinepropionic acid, phenethyl ester
Property Insights of 1-Aziridinepropionic acid, phenethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridinepropionic acid, phenethyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, 1-Aziridinepropionic acid, phenethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridinepropionic acid, phenethyl 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-Aziridinepropionic acid, phenethyl ester?
The CAS number of 1-Aziridinepropionic acid, phenethyl ester is 99901-04-9.
What is the molecular formula of 1-Aziridinepropionic acid, phenethyl ester?
The molecular formula of 1-Aziridinepropionic acid, phenethyl ester is C13H17NO2.
What is the molecular weight of 1-Aziridinepropionic acid, phenethyl ester?
The molecular weight of 1-Aziridinepropionic acid, phenethyl ester is 219.13 g/mol.
Where can I buy 1-Aziridinepropionic acid, phenethyl ester?
You can request a quote for 1-Aziridinepropionic acid, phenethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aziridinepropionic acid, phenethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridinepropionic acid, phenethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.