![2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile structure](/static/products/4452/445242-52-4.webp)
2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
TL;DR: 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile (CAS 445242-52-4) is a chemical compound with molecular formula C26H24FN3O6 and molecular weight 493.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile, 2-amino-4-[3-({5-fluoro-2-nitrophenoxy}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-AMINO-4-{3-[(5-FLUORO-2-NITROPHENOXY)METHYL]-4-METHOXYPHENYL}-7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE, 2-amino-4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C26H24FN3O6 |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | 4.77238 |
| Topological Polar Surface Area | 137.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.16492 |
| Heavy Atoms | 36 |
| Complexity | 1372.2198 |
Chemical Identifiers
| CAS Number | 445242-52-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)COC4=C(C=CC(=C4)F)[N+](=O)[O-])C(=O)C1)C |
Product Overview
2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile (CAS 445242-52-4), with molecular formula C26H24FN3O6 and molecular weight 493.16 g/mol. IUPAC: 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Property Insights of 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
The XLogP value of 4.77238 indicates that 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile has 1 hydrogen bond donor(s) and 8 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 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile?
The CAS number of 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile is 445242-52-4.
What is the molecular formula of 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile?
The molecular formula of 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile is C26H24FN3O6.
What is the molecular weight of 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile?
The molecular weight of 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile is 493.16 g/mol.
Where can I buy 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile?
You can request a quote for 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.