1,4-Bis(3-pentyl)benzene
TL;DR: 1,4-Bis(3-pentyl)benzene (CAS 31173-90-7) is a chemical compound with molecular formula C16H26 and molecular weight 218.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-di(pentan-3-yl)benzene
Also Known As: 1,4-Bis(3-pentyl)benzene, Benzene, p-bis(1-ethylpropyl)-, 1,4-Bis(1-ethylpropyl)benzene, 1,4-di(pentan-3-yl)benzene, Benzene, 1,4-bis(1-ethylpropyl)-
| Molecular Formula | C16H26 |
|---|---|
| Molecular Weight | 218.20 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.20345 |
| Heavy Atoms | 16 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 31173-90-7 |
|---|---|
| SMILES | CCC(CC)C1=CC=C(C=C1)C(CC)CC |
| InChIKey | HBAMTXJBZXCUOV-UHFFFAOYSA-N |
Product Overview
1,4-Bis(3-pentyl)benzene (CAS 31173-90-7), with molecular formula C16H26 and molecular weight 218.20 g/mol. IUPAC: 1,4-di(pentan-3-yl)benzene.
Chemical Property Profile of 1,4-Bis(3-pentyl)benzene
Property Insights of 1,4-Bis(3-pentyl)benzene
The XLogP value of 6.3 indicates that 1,4-Bis(3-pentyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Bis(3-pentyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(3-pentyl)benzene 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 1,4-Bis(3-pentyl)benzene?
The CAS number of 1,4-Bis(3-pentyl)benzene is 31173-90-7.
What is the molecular formula of 1,4-Bis(3-pentyl)benzene?
The molecular formula of 1,4-Bis(3-pentyl)benzene is C16H26.
What is the molecular weight of 1,4-Bis(3-pentyl)benzene?
The molecular weight of 1,4-Bis(3-pentyl)benzene is 218.20 g/mol.
Where can I buy 1,4-Bis(3-pentyl)benzene?
You can request a quote for 1,4-Bis(3-pentyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(3-pentyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(3-pentyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.