![3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile structure](/static/products/3039/303985-57-1.webp)
3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile
TL;DR: 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile (CAS 303985-57-1) is a chemical compound with molecular formula C16H9Cl2NOS and molecular weight 332.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methoxy]-1-benzothiophene-2-carbonitrile
Also Known As: 3-[(2,4-dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile, 3-[(2,4-dichlorophenyl)methoxy]-1-benzothiophene-2-carbonitrile, 11L-623S, 3-[(2,4-dichlorophenyl)methoxy]benzothiophene-2-carbonitrile
| Molecular Formula | C16H9Cl2NOS |
|---|---|
| Molecular Weight | 332.98 g/mol |
| LogP | 5.65878 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.97818 |
| Heavy Atoms | 21 |
| Complexity | 851.09454 |
Chemical Identifiers
| CAS Number | 303985-57-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C#N)OCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile (CAS 303985-57-1), with molecular formula C16H9Cl2NOS and molecular weight 332.98 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methoxy]-1-benzothiophene-2-carbonitrile.
Chemical Property Profile of 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile
Property Insights of 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile
The XLogP value of 5.65878 indicates that 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile?
The CAS number of 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile is 303985-57-1.
What is the molecular formula of 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile?
The molecular formula of 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile is C16H9Cl2NOS.
What is the molecular weight of 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile?
The molecular weight of 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile is 332.98 g/mol.
Where can I buy 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile?
You can request a quote for 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,4-Dichlorobenzyl)oxy]-1-benzothiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.