4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline
TL;DR: 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline (CAS 25133-98-6) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline
Also Known As: 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline, 4-{2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl}aniline, 4-[2-(2-chloromethyl-[1,3]dioxolan-2-yl)-vinyl]-aniline, 4-[2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline, 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)phenylamine
| Molecular Formula | C12H14ClNO2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 2.2639 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0713 |
| Heavy Atoms | 16 |
| Complexity | 369.11008 |
Chemical Identifiers
| CAS Number | 25133-98-6 |
|---|---|
| SMILES | C1COC(O1)(CCl)/C=C/C2=CC=C(C=C2)N |
Product Overview
4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline (CAS 25133-98-6), with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol. IUPAC: 4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline.
Chemical Property Profile of 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline
Property Insights of 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline
The XLogP value of 2.2639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline. With a topological polar surface area (TPSA) of 44.48 Ų, 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline has 1 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 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline?
The CAS number of 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline is 25133-98-6.
What is the molecular formula of 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline?
The molecular formula of 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline is C12H14ClNO2.
What is the molecular weight of 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline?
The molecular weight of 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline is 239.07 g/mol.
Where can I buy 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline?
You can request a quote for 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.