![3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile structure](/static/products/1596/159685-77-5.webp)
3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
TL;DR: 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile (CAS 159685-77-5) is a chemical compound with molecular formula C20H13FN2O and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
Also Known As: 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile, J2.818.126D, AF-399/32967044, 2-amino-4-(4-fluorophenyl)-4H-benzo[f]chromene-3-carbonitrile, 1-(4-Fluorophenyl)-3-amino-1H-naphtho[2,1-b]pyran-2-carbonitrile
| Molecular Formula | C20H13FN2O |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 4.19708 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.1012 |
| Heavy Atoms | 24 |
| Complexity | 1015.98346 |
Chemical Identifiers
| CAS Number | 159685-77-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C(C(=C(O3)N)C#N)C4=CC=C(C=C4)F |
Product Overview
3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile (CAS 159685-77-5), with molecular formula C20H13FN2O and molecular weight 316.10 g/mol. IUPAC: 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile.
Chemical Property Profile of 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
Property Insights of 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
The XLogP value of 4.19708 indicates that 3-amino-1-(4-fluorophenyl)-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 59.04 Ų, 3-amino-1-(4-fluorophenyl)-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-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile has 1 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-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The CAS number of 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile is 159685-77-5.
What is the molecular formula of 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The molecular formula of 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile is C20H13FN2O.
What is the molecular weight of 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
The molecular weight of 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile is 316.10 g/mol.
Where can I buy 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
You can request a quote for 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-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-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-1-(4-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.