3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile
TL;DR: 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile (CAS 111861-46-2) is a chemical compound with molecular formula C20H14N2O and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile
Also Known As: 3-amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile, 1H-Naphtho[2,1-b]pyran-2-carbonitrile, 3-amino-1-phenyl-, J2.572.033D, AB00076844-01, AE-641/00562039
| Molecular Formula | C20H14N2O |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 4.05798 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.11063 |
| Heavy Atoms | 23 |
| Complexity | 967.84827 |
Chemical Identifiers
| CAS Number | 111861-46-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=C(OC3=C2C4=CC=CC=C4C=C3)N)C#N |
Product Overview
3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile (CAS 111861-46-2), with molecular formula C20H14N2O and molecular weight 298.11 g/mol. IUPAC: 3-amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile.
Chemical Property Profile of 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile
Property Insights of 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile
The XLogP value of 4.05798 indicates that 3-amino-1-phenyl-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-phenyl-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-phenyl-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-phenyl-1H-benzo(f)chromene-2-carbonitrile?
The CAS number of 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile is 111861-46-2.
What is the molecular formula of 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile?
The molecular formula of 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile is C20H14N2O.
What is the molecular weight of 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile?
The molecular weight of 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile is 298.11 g/mol.
Where can I buy 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile?
You can request a quote for 3-amino-1-phenyl-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-phenyl-1H-benzo(f)chromene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-1-phenyl-1H-benzo(f)chromene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.