4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile
TL;DR: 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile (CAS 23959-32-2) is a chemical compound with molecular formula C12H13N2P and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-phenyl-3,6-dihydro-2H-phosphinine-5-carbonitrile
Also Known As: 4-amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile, 4-amino-1-phenyl-1,2,5,6-tetrahydro-3-phosphininecarbonitrile, S01-0505, 4-amino-1-phenyl-3,6-dihydro-2H-phosphinine-5-carbonitrile, 4-amino-1-phenyl-3,6-dihydro-2H-phosphorin-5-carbonitrile
| Molecular Formula | C12H13N2P |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.08163 |
| Heavy Atoms | 15 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 23959-32-2 |
|---|---|
| SMILES | C1CP(CC(=C1N)C#N)C2=CC=CC=C2 |
| InChIKey | ITLIZVVJVNRIIR-UHFFFAOYSA-N |
Product Overview
4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile (CAS 23959-32-2), with molecular formula C12H13N2P and molecular weight 216.08 g/mol. IUPAC: 4-amino-1-phenyl-3,6-dihydro-2H-phosphinine-5-carbonitrile.
Chemical Property Profile of 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile
Property Insights of 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile?
The CAS number of 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile is 23959-32-2.
What is the molecular formula of 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile?
The molecular formula of 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile is C12H13N2P.
What is the molecular weight of 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile?
The molecular weight of 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile is 216.08 g/mol.
Where can I buy 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile?
You can request a quote for 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-phenyl-1,2,5,6-tetrahydrophosphinine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.