![3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile structure](/static/products/130/130944-12-6.webp)
3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
TL;DR: 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile (CAS 130944-12-6) is a chemical compound with molecular formula C20H13ClN2O and molecular weight 332.07166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
Also Known As: BAS 00874021, 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile, J1.451.190C, 1-(4-Chlorophenyl)-3-amino-1H-naphtho[2,1-b]pyran-2-carbonitrile, 3-Amino-1-(4-chloro-phenyl)-1H-benzo[f]chromene-2-carbonitrile
Technical Specifications
| Molecular Formula | C20H13ClN2O |
| Molecular Weight | 332.07166 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.07166 Da |
| Heavy Atoms | 24 |
| Complexity | 557.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl |
| InChIKey | DBRWCJMCBIPJAJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
Property Insights of 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
The XLogP value of 5.2 indicates that 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The CAS number of 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile is 130944-12-6.
What is the molecular formula of 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The molecular formula of 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile is C20H13ClN2O.
What is the molecular weight of 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The molecular weight of 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile is 332.07166 g/mol.
Where can I buy 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
You can request a quote for 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.