![3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile structure](/static/products/3204/320422-52-4.webp)
3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile
TL;DR: 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile (CAS 320422-52-4) is a chemical compound with molecular formula C17H13NOS and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile
Also Known As: 3-[(2-methylbenzyl)oxy]-1-benzothiophene-2-carbonitrile, 3-[(2-methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile, 12L-526S, 3-(o-tolylmethoxy)benzothiophene-2-carbonitrile, 3-(2-Methylbenzyl)oxy-1-benzothiophene-2-carbonitrile
| Molecular Formula | C17H13NOS |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 4.6604 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.07178 |
| Heavy Atoms | 20 |
| Complexity | 798.1004 |
Chemical Identifiers
| CAS Number | 320422-52-4 |
|---|---|
| SMILES | CC1=CC=CC=C1COC2=C(SC3=CC=CC=C32)C#N |
Product Overview
3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile (CAS 320422-52-4), with molecular formula C17H13NOS and molecular weight 279.07 g/mol. IUPAC: 3-[(2-methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile.
Chemical Property Profile of 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile
Property Insights of 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile
The XLogP value of 4.6604 indicates that 3-[(2-Methylphenyl)methoxy]-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-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile has 0 hydrogen bond donor(s) and 3 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 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile?
The CAS number of 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile is 320422-52-4.
What is the molecular formula of 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile?
The molecular formula of 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile is C17H13NOS.
What is the molecular weight of 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile?
The molecular weight of 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile is 279.07 g/mol.
Where can I buy 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile?
You can request a quote for 3-[(2-Methylphenyl)methoxy]-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-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Methylphenyl)methoxy]-1-benzothiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.