2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione
TL;DR: 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione (CAS 108260-29-3) is a chemical compound with molecular formula C16H19ClN2O2 and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(aziridin-1-yl)-4-(4-chlorophenyl)-1-pyrrolidin-1-ylbutane-1,4-dione
Also Known As: C16H19ClN2O2.1/2H2O, C16-H19-Cl-N2-O2.1/2H2-O, 1-(2-(1-Aziridinyl)-4-(4-chlorophenyl)-1,4-dioxobutyl)pyrrolidine, Pyrrolidine, 1-(2-(1-aziridinyl)-4-(4-chlorophenyl)-1,4-dioxobutyl)-, 2-(AZIRIDIN-1-YL)-4-(4-CHLOROPHENYL)-1-(PYRROLIDIN-1-YL)BUTANE-1,4-DIONE
| Molecular Formula | C16H19ClN2O2 |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | 2.2194 |
| Topological Polar Surface Area | 40.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.1135 |
| Heavy Atoms | 21 |
| Complexity | 533.7129 |
Chemical Identifiers
| CAS Number | 108260-29-3 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C(CC(=O)C2=CC=C(C=C2)Cl)N3CC3 |
Product Overview
2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione (CAS 108260-29-3), with molecular formula C16H19ClN2O2 and molecular weight 306.11 g/mol. IUPAC: 2-(aziridin-1-yl)-4-(4-chlorophenyl)-1-pyrrolidin-1-ylbutane-1,4-dione.
Chemical Property Profile of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione
Property Insights of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione
The XLogP value of 2.2194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione. With a topological polar surface area (TPSA) of 40.39 Ų, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione 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 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione?
The CAS number of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione is 108260-29-3.
What is the molecular formula of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione?
The molecular formula of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione is C16H19ClN2O2.
What is the molecular weight of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione?
The molecular weight of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione is 306.11 g/mol.
Where can I buy 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione?
You can request a quote for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-1-(pyrrolidin-1-yl)butane-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.