Benzene, (1-propylbutyl)-
TL;DR: Benzene, (1-propylbutyl)- (CAS 2132-86-7) 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.
3-methylhexan-3-ylbenzene
Also Known As: Zinegluconate, 4-heptylbenzene, 3-Methyl-3-phenylhexane, 4-Phenylheptan, 3-methylhexan-3-ylbenzene
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 2132-86-7 |
|---|---|
| SMILES | CCCC(C)(CC)C1=CC=CC=C1 |
| InChIKey | GIMKIOCRQZVNND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1-propylbutyl)- (CAS 2132-86-7), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 3-methylhexan-3-ylbenzene.
Chemical Property Profile of Benzene, (1-propylbutyl)-
Property Insights of Benzene, (1-propylbutyl)-
The XLogP value of 5.2 indicates that Benzene, (1-propylbutyl)- 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-propylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-propylbutyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, (1-propylbutyl)-?
The CAS number of Benzene, (1-propylbutyl)- is 2132-86-7.
What is the molecular formula of Benzene, (1-propylbutyl)-?
The molecular formula of Benzene, (1-propylbutyl)- is C13H20.
What is the molecular weight of Benzene, (1-propylbutyl)-?
The molecular weight of Benzene, (1-propylbutyl)- is 176.16 g/mol.
Where can I buy Benzene, (1-propylbutyl)-?
You can request a quote for Benzene, (1-propylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-propylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-propylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.