1,4-Dibutoxybenzene
TL;DR: 1,4-Dibutoxybenzene (CAS 104-36-9) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibutoxybenzene
Also Known As: 1,4-Dibutoxybenzene, p-Dibutoxybenzene, Benzene, 1,4-dibutoxy-, Benzene, p-dibutoxy-, 1,4-dibutoxy-benzene
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 104-36-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)OCCCC |
| InChIKey | ZROGCHDPRZRKTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dibutoxybenzene (CAS 104-36-9), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 1,4-dibutoxybenzene.
Chemical Property Profile of 1,4-Dibutoxybenzene
Property Insights of 1,4-Dibutoxybenzene
The XLogP value of 4.5 indicates that 1,4-Dibutoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Dibutoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dibutoxybenzene 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 1,4-Dibutoxybenzene?
The CAS number of 1,4-Dibutoxybenzene is 104-36-9.
What is the molecular formula of 1,4-Dibutoxybenzene?
The molecular formula of 1,4-Dibutoxybenzene is C14H22O2.
What is the molecular weight of 1,4-Dibutoxybenzene?
The molecular weight of 1,4-Dibutoxybenzene is 222.16 g/mol.
Where can I buy 1,4-Dibutoxybenzene?
You can request a quote for 1,4-Dibutoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibutoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibutoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.