1-Butylspiropentane
TL;DR: 1-Butylspiropentane (CAS 6191-90-8) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylspiro[2.2]pentane
Also Known As: 1-BUTYLSPIROPENTANE, Spiropentane, butyl-, 1-Butylspiro[2.2]pentane, 2-butylspiro[2.2]pentane, Spiropentane, 1-butyl-
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 6191-90-8 |
|---|---|
| SMILES | CCCCC1CC12CC2 |
| InChIKey | TYYFRIFTXPYWNJ-UHFFFAOYSA-N |
Product Overview
1-Butylspiropentane (CAS 6191-90-8), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 2-butylspiro[2.2]pentane.
Chemical Property Profile of 1-Butylspiropentane
Property Insights of 1-Butylspiropentane
The XLogP value of 3.9 indicates that 1-Butylspiropentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Butylspiropentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylspiropentane 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 1-Butylspiropentane?
The CAS number of 1-Butylspiropentane is 6191-90-8.
What is the molecular formula of 1-Butylspiropentane?
The molecular formula of 1-Butylspiropentane is C9H16.
What is the molecular weight of 1-Butylspiropentane?
The molecular weight of 1-Butylspiropentane is 124.13 g/mol.
Where can I buy 1-Butylspiropentane?
You can request a quote for 1-Butylspiropentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylspiropentane?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylspiropentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.