1-Tert-butyl-4-(4-chlorobutoxy)benzene
TL;DR: 1-Tert-butyl-4-(4-chlorobutoxy)benzene (CAS 62018-19-3) is a chemical compound with molecular formula C14H21ClO and molecular weight 240.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(4-chlorobutoxy)benzene
Also Known As: 1-tert-butyl-4-(4-chlorobutoxy)benzene
| Molecular Formula | C14H21ClO |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.1281 |
| Heavy Atoms | 16 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 62018-19-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCCCCCl |
| InChIKey | LJTNIHOWQJTTTH-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-4-(4-chlorobutoxy)benzene (CAS 62018-19-3), with molecular formula C14H21ClO and molecular weight 240.13 g/mol. IUPAC: 1-tert-butyl-4-(4-chlorobutoxy)benzene.
Chemical Property Profile of 1-Tert-butyl-4-(4-chlorobutoxy)benzene
Property Insights of 1-Tert-butyl-4-(4-chlorobutoxy)benzene
The XLogP value of 4.9 indicates that 1-Tert-butyl-4-(4-chlorobutoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Tert-butyl-4-(4-chlorobutoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-4-(4-chlorobutoxy)benzene has 0 hydrogen bond donor(s) and 1 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-Tert-butyl-4-(4-chlorobutoxy)benzene?
The CAS number of 1-Tert-butyl-4-(4-chlorobutoxy)benzene is 62018-19-3.
What is the molecular formula of 1-Tert-butyl-4-(4-chlorobutoxy)benzene?
The molecular formula of 1-Tert-butyl-4-(4-chlorobutoxy)benzene is C14H21ClO.
What is the molecular weight of 1-Tert-butyl-4-(4-chlorobutoxy)benzene?
The molecular weight of 1-Tert-butyl-4-(4-chlorobutoxy)benzene is 240.13 g/mol.
Where can I buy 1-Tert-butyl-4-(4-chlorobutoxy)benzene?
You can request a quote for 1-Tert-butyl-4-(4-chlorobutoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-4-(4-chlorobutoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4-(4-chlorobutoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.