2,4-Dimethyl-3-phenylpentane
TL;DR: 2,4-Dimethyl-3-phenylpentane (CAS 21777-84-4) 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.
2,4-dimethylpentan-3-ylbenzene
Also Known As: 2,4-Dimethyl-3-phenylpentane, di-isopropylphenylmethane, Diisopropyl-phenyl-methan, 2,4-dimethylpentan-3-ylbenzene, alpha,alpha-Diisopropyltoluene
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 21777-84-4 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)C(C)C |
| InChIKey | GKGTVJOYFGUPSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethyl-3-phenylpentane (CAS 21777-84-4), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 2,4-dimethylpentan-3-ylbenzene.
Chemical Property Profile of 2,4-Dimethyl-3-phenylpentane
Property Insights of 2,4-Dimethyl-3-phenylpentane
The XLogP value of 4.6 indicates that 2,4-Dimethyl-3-phenylpentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4-Dimethyl-3-phenylpentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-3-phenylpentane 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 2,4-Dimethyl-3-phenylpentane?
The CAS number of 2,4-Dimethyl-3-phenylpentane is 21777-84-4.
What is the molecular formula of 2,4-Dimethyl-3-phenylpentane?
The molecular formula of 2,4-Dimethyl-3-phenylpentane is C13H20.
What is the molecular weight of 2,4-Dimethyl-3-phenylpentane?
The molecular weight of 2,4-Dimethyl-3-phenylpentane is 176.16 g/mol.
Where can I buy 2,4-Dimethyl-3-phenylpentane?
You can request a quote for 2,4-Dimethyl-3-phenylpentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-3-phenylpentane?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-3-phenylpentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.