![3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile structure](/static/products/3039/303985-58-2.webp)
3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile
TL;DR: 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile (CAS 303985-58-2) is a chemical compound with molecular formula C16H10N2O3S and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile
Also Known As: 3-[(4-nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile, 11L-624S, 3-[(4-nitrobenzyl)oxy]-1-benzothiophene-2-carbonitrile, 3-[(4-Nitrophenyl)methoxy]benzo[b]thiophene-2-carbonitrile
| Molecular Formula | C16H10N2O3S |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 4.26018 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.0412 |
| Heavy Atoms | 22 |
| Complexity | 878.5375 |
Chemical Identifiers
| CAS Number | 303985-58-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C#N)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile (CAS 303985-58-2), with molecular formula C16H10N2O3S and molecular weight 310.04 g/mol. IUPAC: 3-[(4-nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile.
Chemical Property Profile of 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile
Property Insights of 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile
The XLogP value of 4.26018 indicates that 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile. Following Lipinski's Rule of Five, 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile has 0 hydrogen bond donor(s) and 5 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-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile?
The CAS number of 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile is 303985-58-2.
What is the molecular formula of 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile?
The molecular formula of 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile is C16H10N2O3S.
What is the molecular weight of 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile?
The molecular weight of 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile is 310.04 g/mol.
Where can I buy 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile?
You can request a quote for 3-[(4-Nitrophenyl)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-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitrophenyl)methoxy]-1-benzothiophene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.