Benzene, 1,2,3-trimethyl-5-(1-methylethyl)
TL;DR: Benzene, 1,2,3-trimethyl-5-(1-methylethyl) (CAS 25401-02-9) 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-5-propan-2-ylbenzene
Also Known As: 5-Isopropyl-hemimellitol, Benzene, 1,2,3-trimethyl-5-(1-methylethyl), Benzene,1,2,3-trimethyl-5- -, 1,2,3-trimethyl-5-propan-2-ylbenzene, 1,2,3-Trimethyl-5-isopropylbenzene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 25401-02-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)C)C(C)C |
| InChIKey | YVWPOHRTFUXRNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,2,3-trimethyl-5-(1-methylethyl) (CAS 25401-02-9), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 1,2,3-trimethyl-5-propan-2-ylbenzene.
Chemical Property Profile of Benzene, 1,2,3-trimethyl-5-(1-methylethyl)
Property Insights of Benzene, 1,2,3-trimethyl-5-(1-methylethyl)
The XLogP value of 4.8 indicates that Benzene, 1,2,3-trimethyl-5-(1-methylethyl) 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, 1,2,3-trimethyl-5-(1-methylethyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2,3-trimethyl-5-(1-methylethyl) 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, 1,2,3-trimethyl-5-(1-methylethyl)?
The CAS number of Benzene, 1,2,3-trimethyl-5-(1-methylethyl) is 25401-02-9.
What is the molecular formula of Benzene, 1,2,3-trimethyl-5-(1-methylethyl)?
The molecular formula of Benzene, 1,2,3-trimethyl-5-(1-methylethyl) is C12H18.
What is the molecular weight of Benzene, 1,2,3-trimethyl-5-(1-methylethyl)?
The molecular weight of Benzene, 1,2,3-trimethyl-5-(1-methylethyl) is 162.14 g/mol.
Where can I buy Benzene, 1,2,3-trimethyl-5-(1-methylethyl)?
You can request a quote for Benzene, 1,2,3-trimethyl-5-(1-methylethyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2,3-trimethyl-5-(1-methylethyl)?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2,3-trimethyl-5-(1-methylethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.