5-Butyl-1,3-cyclopentadiene
TL;DR: 5-Butyl-1,3-cyclopentadiene (CAS 78347-54-3) is a chemical compound with molecular formula C9H14 and molecular weight 122.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butylcyclopenta-1,3-diene
Also Known As: 5-butylcyclopenta-1,3-diene, 5-butyl-1,3-cyclopentadiene, 1,3-Cyclopentadiene, 5-butyl-, 1,3-Cyclopentadiene, 5-butyl, n-Butyl-Cyclopentadiene 95%
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.10955 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 78347-54-3 |
|---|---|
| SMILES | CCCCC1C=CC=C1 |
| InChIKey | LDZPPZNDWQFMAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Butyl-1,3-cyclopentadiene (CAS 78347-54-3), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: 5-butylcyclopenta-1,3-diene.
Chemical Property Profile of 5-Butyl-1,3-cyclopentadiene
Property Insights of 5-Butyl-1,3-cyclopentadiene
The XLogP value of 3.8 indicates that 5-Butyl-1,3-cyclopentadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Butyl-1,3-cyclopentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-1,3-cyclopentadiene 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 5-Butyl-1,3-cyclopentadiene?
The CAS number of 5-Butyl-1,3-cyclopentadiene is 78347-54-3.
What is the molecular formula of 5-Butyl-1,3-cyclopentadiene?
The molecular formula of 5-Butyl-1,3-cyclopentadiene is C9H14.
What is the molecular weight of 5-Butyl-1,3-cyclopentadiene?
The molecular weight of 5-Butyl-1,3-cyclopentadiene is 122.11 g/mol.
Where can I buy 5-Butyl-1,3-cyclopentadiene?
You can request a quote for 5-Butyl-1,3-cyclopentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-1,3-cyclopentadiene?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-1,3-cyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.