Ethyl 1,3-diphenylaziridine-2-carboxylate
TL;DR: Ethyl 1,3-diphenylaziridine-2-carboxylate (CAS 49790-76-3) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-diphenylaziridine-2-carboxylate
Also Known As: ethyl 1,3-diphenylaziridine-2-carboxylate, 1,3-Diphenylaziridine-2-carboxylic acid ethyl ester, 2-AZIRIDINECARBOXYLICACID, 1,3-DIPHENYL-, ETHYL ESTER
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 49790-76-3 |
|---|---|
| SMILES | CCOC(=O)C1C(N1C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | JRGYCLZVFSOCSO-UHFFFAOYSA-N |
Product Overview
Ethyl 1,3-diphenylaziridine-2-carboxylate (CAS 49790-76-3), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: ethyl 1,3-diphenylaziridine-2-carboxylate.
Chemical Property Profile of Ethyl 1,3-diphenylaziridine-2-carboxylate
Property Insights of Ethyl 1,3-diphenylaziridine-2-carboxylate
The XLogP value of 3.7 indicates that Ethyl 1,3-diphenylaziridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.3 Ų, Ethyl 1,3-diphenylaziridine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,3-diphenylaziridine-2-carboxylate 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 Ethyl 1,3-diphenylaziridine-2-carboxylate?
The CAS number of Ethyl 1,3-diphenylaziridine-2-carboxylate is 49790-76-3.
What is the molecular formula of Ethyl 1,3-diphenylaziridine-2-carboxylate?
The molecular formula of Ethyl 1,3-diphenylaziridine-2-carboxylate is C17H17NO2.
What is the molecular weight of Ethyl 1,3-diphenylaziridine-2-carboxylate?
The molecular weight of Ethyl 1,3-diphenylaziridine-2-carboxylate is 267.13 g/mol.
Where can I buy Ethyl 1,3-diphenylaziridine-2-carboxylate?
You can request a quote for Ethyl 1,3-diphenylaziridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,3-diphenylaziridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3-diphenylaziridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.