1-Aziridinepropionic acid, cinnamyl ester
TL;DR: 1-Aziridinepropionic acid, cinnamyl ester (CAS 99900-94-4) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-phenylprop-2-enyl] 3-(aziridin-1-yl)propanoate
Also Known As: 1-AZIRIDINEPROPIONIC ACID, CINNAMYL ESTER, 1-Aziridinepropanoic acid, cinnamyl ester, 1-Aziridinepropionic acid cinnamyl ester, 3-phenylprop-2-en-1-yl 3-(aziridin-1-yl)propanoate, [(E)-3-phenylprop-2-enyl] 3-(aziridin-1-yl)propanoate
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 1.9487 |
| Topological Polar Surface Area | 29.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 382.4685 |
Chemical Identifiers
| CAS Number | 99900-94-4 |
|---|---|
| SMILES | C1CN1CCC(=O)OC/C=C/C2=CC=CC=C2 |
Product Overview
1-Aziridinepropionic acid, cinnamyl ester (CAS 99900-94-4), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: [(E)-3-phenylprop-2-enyl] 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of 1-Aziridinepropionic acid, cinnamyl ester
Property Insights of 1-Aziridinepropionic acid, cinnamyl ester
The XLogP value of 1.9487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridinepropionic acid, cinnamyl ester. With a topological polar surface area (TPSA) of 29.31 Ų, 1-Aziridinepropionic acid, cinnamyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridinepropionic acid, cinnamyl 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, cinnamyl ester?
The CAS number of 1-Aziridinepropionic acid, cinnamyl ester is 99900-94-4.
What is the molecular formula of 1-Aziridinepropionic acid, cinnamyl ester?
The molecular formula of 1-Aziridinepropionic acid, cinnamyl ester is C14H17NO2.
What is the molecular weight of 1-Aziridinepropionic acid, cinnamyl ester?
The molecular weight of 1-Aziridinepropionic acid, cinnamyl ester is 231.13 g/mol.
Where can I buy 1-Aziridinepropionic acid, cinnamyl ester?
You can request a quote for 1-Aziridinepropionic acid, cinnamyl 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, cinnamyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridinepropionic acid, cinnamyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.