4-氯乙苯
TL;DR: 4-氯乙苯 (CAS 622-98-0) is a chemical compound with molecular formula C8H9Cl and molecular weight 140.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯乙苯
1-chloro-4-ethylbenzene
Also Known As: 1-Chloro-4-ethylbenzene, p-Chloroethylbenzene, Benzene, 1-chloro-4-ethyl-, 4-Chloroethylbenzene, 4-Ethylchlorobenzene
| Molecular Formula | C8H9Cl |
|---|---|
| Molecular Weight | 140.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.03928 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 622-98-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)Cl |
| InChIKey | GPOFSFLJOIAMSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯乙苯 (CAS 622-98-0), with molecular formula C8H9Cl and molecular weight 140.04 g/mol. IUPAC: 1-chloro-4-ethylbenzene.
Chemical Property Profile of 4-氯乙苯
Property Insights of 4-氯乙苯
The XLogP value of 3.6 indicates that 4-氯乙苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-氯乙苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯乙苯 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 4-氯乙苯?
The CAS number of 4-氯乙苯 is 622-98-0.
What is the molecular formula of 4-氯乙苯?
The molecular formula of 4-氯乙苯 is C8H9Cl.
What is the molecular weight of 4-氯乙苯?
The molecular weight of 4-氯乙苯 is 140.04 g/mol.
Where can I buy 4-氯乙苯?
You can request a quote for 4-氯乙苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯乙苯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯乙苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.