1-(Dichloromethyl)-4-ethylbenzene
TL;DR: 1-(Dichloromethyl)-4-ethylbenzene (CAS 54789-29-6) is a chemical compound with molecular formula C9H10Cl2 and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dichloromethyl)-4-ethylbenzene
Also Known As: 1-(DICHLOROMETHYL)-4-ETHYLBENZENE, 4-ethyl benzal chloride, p-Ethylbenzylidene dichloride, 1-dichloromethyl-4-ethylbenzene, 1-Ethyl-4-(dichloromethyl)benzene
| Molecular Formula | C9H10Cl2 |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.01596 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 54789-29-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(Cl)Cl |
| InChIKey | PWKUMFYUILTTMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Dichloromethyl)-4-ethylbenzene (CAS 54789-29-6), with molecular formula C9H10Cl2 and molecular weight 188.02 g/mol. IUPAC: 1-(dichloromethyl)-4-ethylbenzene.
Chemical Property Profile of 1-(Dichloromethyl)-4-ethylbenzene
Property Insights of 1-(Dichloromethyl)-4-ethylbenzene
The XLogP value of 3.8 indicates that 1-(Dichloromethyl)-4-ethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Dichloromethyl)-4-ethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dichloromethyl)-4-ethylbenzene has 0 hydrogen bond donor(s) and 0 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-(Dichloromethyl)-4-ethylbenzene?
The CAS number of 1-(Dichloromethyl)-4-ethylbenzene is 54789-29-6.
What is the molecular formula of 1-(Dichloromethyl)-4-ethylbenzene?
The molecular formula of 1-(Dichloromethyl)-4-ethylbenzene is C9H10Cl2.
What is the molecular weight of 1-(Dichloromethyl)-4-ethylbenzene?
The molecular weight of 1-(Dichloromethyl)-4-ethylbenzene is 188.02 g/mol.
Where can I buy 1-(Dichloromethyl)-4-ethylbenzene?
You can request a quote for 1-(Dichloromethyl)-4-ethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Dichloromethyl)-4-ethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dichloromethyl)-4-ethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.