Benzene, 1-methyl-3,5-bis(1-methylethyl)-
TL;DR: Benzene, 1-methyl-3,5-bis(1-methylethyl)- (CAS 3055-14-9) is a chemical compound with molecular formula C13H20 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,5-di(propan-2-yl)benzene
Also Known As: 1,3-DI-ISO-PROPYL-5-METHYLBENZENE, 1,3-diisopropyl-5-methylbenzene, Benzene, 1-methyl-3,5-bis(1-methylethyl)-, 3,5-Diisopropyltoluene, Toluene, 3,5-diisopropyl-
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 3055-14-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(C)C)C(C)C |
| InChIKey | SOALUUXENHDLMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-3,5-bis(1-methylethyl)- (CAS 3055-14-9), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 1-methyl-3,5-di(propan-2-yl)benzene.
Chemical Property Profile of Benzene, 1-methyl-3,5-bis(1-methylethyl)-
Property Insights of Benzene, 1-methyl-3,5-bis(1-methylethyl)-
The XLogP value of 4.5 indicates that Benzene, 1-methyl-3,5-bis(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-methyl-3,5-bis(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-3,5-bis(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-methyl-3,5-bis(1-methylethyl)-?
The CAS number of Benzene, 1-methyl-3,5-bis(1-methylethyl)- is 3055-14-9.
What is the molecular formula of Benzene, 1-methyl-3,5-bis(1-methylethyl)-?
The molecular formula of Benzene, 1-methyl-3,5-bis(1-methylethyl)- is C13H20.
What is the molecular weight of Benzene, 1-methyl-3,5-bis(1-methylethyl)-?
The molecular weight of Benzene, 1-methyl-3,5-bis(1-methylethyl)- is 176.16 g/mol.
Where can I buy Benzene, 1-methyl-3,5-bis(1-methylethyl)-?
You can request a quote for Benzene, 1-methyl-3,5-bis(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-methyl-3,5-bis(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-3,5-bis(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.