2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
TL;DR: 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 164026-52-2) is a chemical compound with molecular formula C16H16N2O and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Also Known As: 4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-phenyl-, 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-Amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromen-3-carbonitril, 2-amino-3-cyano-4-phenyl-5,6,7,8-tetrahydro-4H-chromene, 4H-1-BENZOPYRAN-3-CARBONITRILE,2-AMINO-5,6,7,8-TETRAHYDRO-4-PHENYL-
| Molecular Formula | C16H16N2O |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 3.32238 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.12627 |
| Heavy Atoms | 19 |
| Complexity | 592.925 |
Chemical Identifiers
| CAS Number | 164026-52-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(C(=C(O2)N)C#N)C3=CC=CC=C3 |
Product Overview
2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 164026-52-2), with molecular formula C16H16N2O and molecular weight 252.13 g/mol. IUPAC: 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Property Insights of 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The XLogP value of 3.32238 indicates that 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-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, 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-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 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The CAS number of 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 164026-52-2.
What is the molecular formula of 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular formula of 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C16H16N2O.
What is the molecular weight of 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular weight of 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 252.13 g/mol.
Where can I buy 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
You can request a quote for 2-amino-4-phenyl-5,6,7,8-tetrahydro-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-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.