![4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline structure](/static/products/2499/2499-54-9.webp)
4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline
TL;DR: 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline (CAS 2499-54-9) 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-[2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline
Also Known As: 4-[2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline, 4-(2-(2-(Chloromethyl)-1,3-dioxolan-2-yl)vinyl)aniline, Benzenamine,4-[2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]-
| Molecular Formula | C12H14ClNO2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.0713 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 2499-54-9 |
|---|---|
| SMILES | C1COC(O1)(CCl)C=CC2=CC=C(C=C2)N |
| InChIKey | JNIBNNJWQQUVFI-UHFFFAOYSA-N |
Product Overview
4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline (CAS 2499-54-9), with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol. IUPAC: 4-[2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline.
Chemical Property Profile of 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline
Property Insights of 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline. With a topological polar surface area (TPSA) of 44.5 Ų, 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]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]ethenyl]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]ethenyl]aniline?
The CAS number of 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline is 2499-54-9.
What is the molecular formula of 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline?
The molecular formula of 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline is C12H14ClNO2.
What is the molecular weight of 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline?
The molecular weight of 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline is 239.07 g/mol.
Where can I buy 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline?
You can request a quote for 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]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]ethenyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethenyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.