4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈
TL;DR: 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 (CAS 141259-11-2) is a chemical compound with molecular formula C16H10N2O and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈
4-oxo-2-phenyl-1H-quinoline-3-carbonitrile
Also Known As: 4-Oxo-2-phenyl-1,4-dihydroquinoline-3-carbonitrile, 4-oxo-2-phenyl-1H-quinoline-3-carbonitrile, NCI60_022633, 3-Quinolinecarbonitrile, 1,4-dihydro-4-oxo-2-phenyl-, RefChem:295226
| Molecular Formula | C16H10N2O |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.07932 |
| Heavy Atoms | 19 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 141259-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)C#N |
| InChIKey | AUURMJWGTGRBMW-UHFFFAOYSA-N |
Product Overview
4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 (CAS 141259-11-2), with molecular formula C16H10N2O and molecular weight 246.08 g/mol. IUPAC: 4-oxo-2-phenyl-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈
Property Insights of 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈
The XLogP value of 3.1 indicates that 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 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 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈?
The CAS number of 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 is 141259-11-2.
What is the molecular formula of 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈?
The molecular formula of 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 is C16H10N2O.
What is the molecular weight of 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈?
The molecular weight of 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 is 246.08 g/mol.
Where can I buy 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈?
You can request a quote for 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代-2-苯基-1,4-二氢喹啉-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.