2-Chloro-4-isopropyltoluene
TL;DR: 2-Chloro-4-isopropyltoluene (CAS 4395-79-3) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-methyl-4-propan-2-ylbenzene
Also Known As: Septol, 2-Chlorocymol, Carvacryl chloride, Fenirofibrate, p-Cymene, 2-chloro-
| Molecular Formula | C10H13Cl |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07057 |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 4395-79-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)Cl |
| InChIKey | JVIGKRUGGYKFSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-isopropyltoluene (CAS 4395-79-3), with molecular formula C10H13Cl and molecular weight 168.07 g/mol. IUPAC: 2-chloro-1-methyl-4-propan-2-ylbenzene.
Chemical Property Profile of 2-Chloro-4-isopropyltoluene
Property Insights of 2-Chloro-4-isopropyltoluene
The XLogP value of 4.0 indicates that 2-Chloro-4-isopropyltoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Chloro-4-isopropyltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-isopropyltoluene 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 2-Chloro-4-isopropyltoluene?
The CAS number of 2-Chloro-4-isopropyltoluene is 4395-79-3.
What is the molecular formula of 2-Chloro-4-isopropyltoluene?
The molecular formula of 2-Chloro-4-isopropyltoluene is C10H13Cl.
What is the molecular weight of 2-Chloro-4-isopropyltoluene?
The molecular weight of 2-Chloro-4-isopropyltoluene is 168.07 g/mol.
Where can I buy 2-Chloro-4-isopropyltoluene?
You can request a quote for 2-Chloro-4-isopropyltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-isopropyltoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-isopropyltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.