1,4-Bis(chloromethyl)-2,5-diethoxy-benzene
TL;DR: 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene (CAS 6344-46-3) is a chemical compound with molecular formula C12H16Cl2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(chloromethyl)-2,5-diethoxybenzene
Also Known As: 1,4-bis(chloromethyl)-2,5-diethoxybenzene, KST-1B6726, 1,4-diethoxy-2,5-bis(chloromethyl)benzene, 1,4-diethoxy-2,5-bis (chloromethyl)benzene, 1,4-BIS(CHLOROMETHYL)-2,5-DIETHOXY-BENZENE
| Molecular Formula | C12H16Cl2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.05273 |
| Heavy Atoms | 16 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 6344-46-3 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1CCl)OCC)CCl |
| InChIKey | PXKGXXCANCSLDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(chloromethyl)-2,5-diethoxy-benzene (CAS 6344-46-3), with molecular formula C12H16Cl2O2 and molecular weight 262.05 g/mol. IUPAC: 1,4-bis(chloromethyl)-2,5-diethoxybenzene.
Chemical Property Profile of 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene
Property Insights of 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene
The XLogP value of 3.4 indicates that 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene 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-Bis(chloromethyl)-2,5-diethoxy-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene 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-Bis(chloromethyl)-2,5-diethoxy-benzene?
The CAS number of 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene is 6344-46-3.
What is the molecular formula of 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene?
The molecular formula of 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene is C12H16Cl2O2.
What is the molecular weight of 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene?
The molecular weight of 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene is 262.05 g/mol.
Where can I buy 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene?
You can request a quote for 1,4-Bis(chloromethyl)-2,5-diethoxy-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(chloromethyl)-2,5-diethoxy-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(chloromethyl)-2,5-diethoxy-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.