4,4-Dimethoxybutylbenzene
TL;DR: 4,4-Dimethoxybutylbenzene (CAS 85629-18-1) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxybutylbenzene
Also Known As: 4,4-dimethoxybutylbenzene, 1-(4,4-dimethoxybutyl)benzene, (4,4-DIMETHOXYBUTYL)BENZENE, 4-phenyl-butyraldehyde dimethylacetal, RefChem:284963
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.6282 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 229.33687 |
Chemical Identifiers
| CAS Number | 85629-18-1 |
|---|---|
| SMILES | COC(CCCC1=CC=CC=C1)OC |
Product Overview
4,4-Dimethoxybutylbenzene (CAS 85629-18-1), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 4,4-dimethoxybutylbenzene.
Chemical Property Profile of 4,4-Dimethoxybutylbenzene
Property Insights of 4,4-Dimethoxybutylbenzene
The XLogP value of 2.6282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethoxybutylbenzene. With a topological polar surface area (TPSA) of 18.46 Ų, 4,4-Dimethoxybutylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethoxybutylbenzene has 0 hydrogen bond donor(s) and 2 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 4,4-Dimethoxybutylbenzene?
The CAS number of 4,4-Dimethoxybutylbenzene is 85629-18-1.
What is the molecular formula of 4,4-Dimethoxybutylbenzene?
The molecular formula of 4,4-Dimethoxybutylbenzene is C12H18O2.
What is the molecular weight of 4,4-Dimethoxybutylbenzene?
The molecular weight of 4,4-Dimethoxybutylbenzene is 194.13 g/mol.
Where can I buy 4,4-Dimethoxybutylbenzene?
You can request a quote for 4,4-Dimethoxybutylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethoxybutylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethoxybutylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.