n-Butyl cyclopentadiene
TL;DR: n-Butyl cyclopentadiene (CAS 62247-87-4) 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.
1-butylcyclopenta-1,3-diene
Also Known As: n-butyl cyclopentadiene, butylcyclopentadiene, 1-butylcyclopenta-1,3-diene, butyl-cyclopentadiene, n-butylcyclopentadiene
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 3.3 |
| 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 | 129.0 |
Chemical Identifiers
| CAS Number | 62247-87-4 |
|---|---|
| SMILES | CCCCC1=CC=CC1 |
| InChIKey | FTFYDDRPCCMKBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Butyl cyclopentadiene (CAS 62247-87-4), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: 1-butylcyclopenta-1,3-diene.
Chemical Property Profile of n-Butyl cyclopentadiene
Property Insights of n-Butyl cyclopentadiene
The XLogP value of 3.3 indicates that n-Butyl 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, n-Butyl cyclopentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butyl 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 n-Butyl cyclopentadiene?
The CAS number of n-Butyl cyclopentadiene is 62247-87-4.
What is the molecular formula of n-Butyl cyclopentadiene?
The molecular formula of n-Butyl cyclopentadiene is C9H14.
What is the molecular weight of n-Butyl cyclopentadiene?
The molecular weight of n-Butyl cyclopentadiene is 122.11 g/mol.
Where can I buy n-Butyl cyclopentadiene?
You can request a quote for n-Butyl cyclopentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl cyclopentadiene?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl cyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.