Benzene, 1-butyl-4-propyl
TL;DR: Benzene, 1-butyl-4-propyl (CAS 7641-82-9) 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-butyl-4-propylbenzene
Also Known As: 1-butyl-4-propylbenzene, Benzene, 1-butyl-4-propyl, 1-propyl-4-butylbenzene, 1-n-Propyl-4-n-amylbenzol, Benzene, 1-butyl-4-propyl-
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 7641-82-9 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)CCC |
| InChIKey | YKYPCWLDEQIAAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-butyl-4-propyl (CAS 7641-82-9), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 1-butyl-4-propylbenzene.
Chemical Property Profile of Benzene, 1-butyl-4-propyl
Property Insights of Benzene, 1-butyl-4-propyl
The XLogP value of 5.1 indicates that Benzene, 1-butyl-4-propyl 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-butyl-4-propyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-butyl-4-propyl 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-butyl-4-propyl?
The CAS number of Benzene, 1-butyl-4-propyl is 7641-82-9.
What is the molecular formula of Benzene, 1-butyl-4-propyl?
The molecular formula of Benzene, 1-butyl-4-propyl is C13H20.
What is the molecular weight of Benzene, 1-butyl-4-propyl?
The molecular weight of Benzene, 1-butyl-4-propyl is 176.16 g/mol.
Where can I buy Benzene, 1-butyl-4-propyl?
You can request a quote for Benzene, 1-butyl-4-propyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-butyl-4-propyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-butyl-4-propyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.