1,4-Dibutoxy-2-chlorobenzene
TL;DR: 1,4-Dibutoxy-2-chlorobenzene (CAS 68052-10-8) is a chemical compound with molecular formula C14H21ClO2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibutoxy-2-chlorobenzene
Also Known As: 1,4-Dibutoxy-2-chlorobenzene, 1-Chloro-2,5-dibutoxybenzene, 2,5-Dibutoxychlorobenzene, 2,5-Dibutoxy-1-chlorobenzene, Benzene, 1,4-dibutoxy-2-chloro-
| Molecular Formula | C14H21ClO2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 256.12302 |
| Heavy Atoms | 17 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 68052-10-8 |
|---|---|
| SMILES | CCCCOC1=CC(=C(C=C1)OCCCC)Cl |
| InChIKey | YXZPUUPBQVIBTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dibutoxy-2-chlorobenzene (CAS 68052-10-8), with molecular formula C14H21ClO2 and molecular weight 256.12 g/mol. IUPAC: 1,4-dibutoxy-2-chlorobenzene.
Chemical Property Profile of 1,4-Dibutoxy-2-chlorobenzene
Property Insights of 1,4-Dibutoxy-2-chlorobenzene
The XLogP value of 5.2 indicates that 1,4-Dibutoxy-2-chlorobenzene 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-Dibutoxy-2-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dibutoxy-2-chlorobenzene has 0 hydrogen bond donor(s) and 2 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-Dibutoxy-2-chlorobenzene?
The CAS number of 1,4-Dibutoxy-2-chlorobenzene is 68052-10-8.
What is the molecular formula of 1,4-Dibutoxy-2-chlorobenzene?
The molecular formula of 1,4-Dibutoxy-2-chlorobenzene is C14H21ClO2.
What is the molecular weight of 1,4-Dibutoxy-2-chlorobenzene?
The molecular weight of 1,4-Dibutoxy-2-chlorobenzene is 256.12 g/mol.
Where can I buy 1,4-Dibutoxy-2-chlorobenzene?
You can request a quote for 1,4-Dibutoxy-2-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibutoxy-2-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibutoxy-2-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.