4-喹啉甲腈1-氧化物
TL;DR: 4-喹啉甲腈1-氧化物 (CAS 21236-85-1) is a chemical compound with molecular formula C10H6N2O and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-喹啉甲腈1-氧化物
1-oxidoquinolin-1-ium-4-carbonitrile
Also Known As: 4-Quinolinecarbonitrile, 1-oxide, 4-cyanoquinoline-1-oxide, 4-Cyanoquinoline 1-oxide, 4-Quinolinecarbonitrile 1-oxide, 1-oxidoquinolin-1-ium-4-carbonitrile
| Molecular Formula | C10H6N2O |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.04802 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 21236-85-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=[N+]2[O-])C#N |
| InChIKey | GBUVEFCZUDQXKO-UHFFFAOYSA-N |
Product Overview
4-喹啉甲腈1-氧化物 (CAS 21236-85-1), with molecular formula C10H6N2O and molecular weight 170.05 g/mol. IUPAC: 1-oxidoquinolin-1-ium-4-carbonitrile.
Chemical Property Profile of 4-喹啉甲腈1-氧化物
Property Insights of 4-喹啉甲腈1-氧化物
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-喹啉甲腈1-氧化物. With a topological polar surface area (TPSA) of 49.3 Ų, 4-喹啉甲腈1-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-喹啉甲腈1-氧化物 has 0 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-喹啉甲腈1-氧化物?
The CAS number of 4-喹啉甲腈1-氧化物 is 21236-85-1.
What is the molecular formula of 4-喹啉甲腈1-氧化物?
The molecular formula of 4-喹啉甲腈1-氧化物 is C10H6N2O.
What is the molecular weight of 4-喹啉甲腈1-氧化物?
The molecular weight of 4-喹啉甲腈1-氧化物 is 170.05 g/mol.
Where can I buy 4-喹啉甲腈1-氧化物?
You can request a quote for 4-喹啉甲腈1-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-喹啉甲腈1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-喹啉甲腈1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.