3,4-Dimethylcumene
TL;DR: 3,4-Dimethylcumene (CAS 4132-77-8) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-4-propan-2-ylbenzene
Also Known As: 3,4-Dimethylcumene, 1,2-Dimethyl-4-isopropylbenzene, 4-Isopropyl-o-xylene, Cumene, 3,4-dimethyl-, Cumene,4-dimethyl-
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 4132-77-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)C |
| InChIKey | MGMSKQZIAGFMRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethylcumene (CAS 4132-77-8), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1,2-dimethyl-4-propan-2-ylbenzene.
Chemical Property Profile of 3,4-Dimethylcumene
Property Insights of 3,4-Dimethylcumene
The XLogP value of 3.8 indicates that 3,4-Dimethylcumene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dimethylcumene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylcumene 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 3,4-Dimethylcumene?
The CAS number of 3,4-Dimethylcumene is 4132-77-8.
What is the molecular formula of 3,4-Dimethylcumene?
The molecular formula of 3,4-Dimethylcumene is C11H16.
What is the molecular weight of 3,4-Dimethylcumene?
The molecular weight of 3,4-Dimethylcumene is 148.13 g/mol.
Where can I buy 3,4-Dimethylcumene?
You can request a quote for 3,4-Dimethylcumene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylcumene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylcumene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.