Benzene, trimethylpropyl-
TL;DR: Benzene, trimethylpropyl- (CAS 82162-09-2) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trimethyl-4-propylbenzene
Also Known As: trimethylpropylbenzene, Benzene, trimethylpropyl-, Benzene,trimethylpropyl-, 1,2,3-trimethyl-4-propylbenzene, Benzene, 1,2,3-trimethyl-4-propyl
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 82162-09-2 |
|---|---|
| SMILES | CCCC1=C(C(=C(C=C1)C)C)C |
| InChIKey | SZAIENRDRCMPRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, trimethylpropyl- (CAS 82162-09-2), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1,2,3-trimethyl-4-propylbenzene.
Chemical Property Profile of Benzene, trimethylpropyl-
Property Insights of Benzene, trimethylpropyl-
The XLogP value of 5.0 indicates that Benzene, trimethylpropyl- 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, trimethylpropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, trimethylpropyl- 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, trimethylpropyl-?
The CAS number of Benzene, trimethylpropyl- is 82162-09-2.
What is the molecular formula of Benzene, trimethylpropyl-?
The molecular formula of Benzene, trimethylpropyl- is C12H18.
What is the molecular weight of Benzene, trimethylpropyl-?
The molecular weight of Benzene, trimethylpropyl- is 162.14 g/mol.
Where can I buy Benzene, trimethylpropyl-?
You can request a quote for Benzene, trimethylpropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, trimethylpropyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, trimethylpropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.