3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
TL;DR: 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile (CAS 28870-35-1) is a chemical compound with molecular formula C16H15N3O and molecular weight 265.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-oxo-2-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: J1.411.545E, 3-amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile, 3-amino-1-oxo-2-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, A3387/0143677, 2-Phenyl-1-oxo-3-amino-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
| Molecular Formula | C16H15N3O |
|---|---|
| Molecular Weight | 265.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.12152 |
| Heavy Atoms | 20 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 28870-35-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N(C2=O)C3=CC=CC=C3)N)C#N |
| InChIKey | QUMKJWORKPMMHD-UHFFFAOYSA-N |
Product Overview
3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile (CAS 28870-35-1), with molecular formula C16H15N3O and molecular weight 265.12 g/mol. IUPAC: 3-amino-1-oxo-2-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Property Insights of 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-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-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
The CAS number of 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile is 28870-35-1.
What is the molecular formula of 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile is C16H15N3O.
What is the molecular weight of 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile is 265.12 g/mol.
Where can I buy 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-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-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-oxo-2-phenyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.