1-Chloro-4-cyclopropylbenzene
TL;DR: 1-Chloro-4-cyclopropylbenzene (CAS 1798-84-1) is a chemical compound with molecular formula C1CC1C2=CC=C(C=C2)Cl and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-cyclopropylbenzene
Also Known As: 1-Chloro-4-cyclopropylbenzene, Benzene, 1-chloro-4-cyclopropyl-, 4-chlorophenylcyclopropane, 1-cyclopropyl-4-chlorobenzene, (4-Chlorophenyl)cyclopropane
| Molecular Formula | C1CC1C2=CC=C(C=C2)Cl |
|---|---|
| Molecular Weight | 152.04 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 | 152.03928 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 1798-84-1 |
|---|---|
| SMILES | C1CC1C2=CC=C(C=C2)Cl |
| InChIKey | HXBOFIGSLNDZRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-cyclopropylbenzene (CAS 1798-84-1), with molecular formula C1CC1C2=CC=C(C=C2)Cl and molecular weight 152.04 g/mol. IUPAC: 1-chloro-4-cyclopropylbenzene.
Chemical Property Profile of 1-Chloro-4-cyclopropylbenzene
Property Insights of 1-Chloro-4-cyclopropylbenzene
The XLogP value of 3.6 indicates that 1-Chloro-4-cyclopropylbenzene 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-Chloro-4-cyclopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-cyclopropylbenzene 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-Chloro-4-cyclopropylbenzene?
The CAS number of 1-Chloro-4-cyclopropylbenzene is 1798-84-1.
What is the molecular formula of 1-Chloro-4-cyclopropylbenzene?
The molecular formula of 1-Chloro-4-cyclopropylbenzene is C1CC1C2=CC=C(C=C2)Cl.
What is the molecular weight of 1-Chloro-4-cyclopropylbenzene?
The molecular weight of 1-Chloro-4-cyclopropylbenzene is 152.04 g/mol.
Where can I buy 1-Chloro-4-cyclopropylbenzene?
You can request a quote for 1-Chloro-4-cyclopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-cyclopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-cyclopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.