1-Aziridinepropionic acid, phenyl ester
TL;DR: 1-Aziridinepropionic acid, phenyl ester (CAS 99901-05-0) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-(aziridin-1-yl)propanoate
Also Known As: 1-Aziridinepropanoic acid, phenyl ester, phenyl 3-(aziridin-1-yl)propanoate, 1-AZIRIDINEPROPIONIC ACID, PHENYL ESTER, 1-Aziridinepropionic acid phenyl ester, Propionic acid, 3-(1-aziridinyl)-, phenyl ester
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 99901-05-0 |
|---|---|
| SMILES | C1CN1CCC(=O)OC2=CC=CC=C2 |
| InChIKey | SXGPVOIQHZYMAQ-UHFFFAOYSA-N |
Product Overview
1-Aziridinepropionic acid, phenyl ester (CAS 99901-05-0), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: phenyl 3-(aziridin-1-yl)propanoate.
Chemical Property Profile of 1-Aziridinepropionic acid, phenyl ester
Property Insights of 1-Aziridinepropionic acid, phenyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridinepropionic acid, phenyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, 1-Aziridinepropionic acid, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridinepropionic acid, phenyl 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, phenyl ester?
The CAS number of 1-Aziridinepropionic acid, phenyl ester is 99901-05-0.
What is the molecular formula of 1-Aziridinepropionic acid, phenyl ester?
The molecular formula of 1-Aziridinepropionic acid, phenyl ester is C11H13NO2.
What is the molecular weight of 1-Aziridinepropionic acid, phenyl ester?
The molecular weight of 1-Aziridinepropionic acid, phenyl ester is 191.09 g/mol.
Where can I buy 1-Aziridinepropionic acid, phenyl ester?
You can request a quote for 1-Aziridinepropionic acid, phenyl 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, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Aziridinepropionic acid, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.