Benzene, 3-chloro-1,2,4-trimethyl
TL;DR: Benzene, 3-chloro-1,2,4-trimethyl (CAS 41381-35-5) is a chemical compound with molecular formula C9H11Cl and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3,4-trimethylbenzene
Also Known As: 2-chloro-1,3,4-trimethylbenzene, Benzene, 3-chloro-1,2,4-trimethyl, 3-chloro-1,2,4-trimethylbenzene, Benzene, 2-chloro-1,3,4-trimethyl-
| Molecular Formula | C9H11Cl |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.05493 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 41381-35-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)Cl)C |
| InChIKey | AXJGVZMSADXTDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 3-chloro-1,2,4-trimethyl (CAS 41381-35-5), with molecular formula C9H11Cl and molecular weight 154.05 g/mol. IUPAC: 2-chloro-1,3,4-trimethylbenzene.
Chemical Property Profile of Benzene, 3-chloro-1,2,4-trimethyl
Property Insights of Benzene, 3-chloro-1,2,4-trimethyl
The XLogP value of 3.6 indicates that Benzene, 3-chloro-1,2,4-trimethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 3-chloro-1,2,4-trimethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 3-chloro-1,2,4-trimethyl 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 Benzene, 3-chloro-1,2,4-trimethyl?
The CAS number of Benzene, 3-chloro-1,2,4-trimethyl is 41381-35-5.
What is the molecular formula of Benzene, 3-chloro-1,2,4-trimethyl?
The molecular formula of Benzene, 3-chloro-1,2,4-trimethyl is C9H11Cl.
What is the molecular weight of Benzene, 3-chloro-1,2,4-trimethyl?
The molecular weight of Benzene, 3-chloro-1,2,4-trimethyl is 154.05 g/mol.
Where can I buy Benzene, 3-chloro-1,2,4-trimethyl?
You can request a quote for Benzene, 3-chloro-1,2,4-trimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 3-chloro-1,2,4-trimethyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 3-chloro-1,2,4-trimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.