4-(3-氨基苯氧基)邻苯二甲腈
TL;DR: 4-(3-氨基苯氧基)邻苯二甲腈 (CAS 116822-66-3) is a chemical compound with molecular formula C14H9N3O and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-氨基苯氧基)邻苯二甲腈
4-(3-aminophenoxy)benzene-1,2-dicarbonitrile
Also Known As: 4-(3-Aminophenoxy)phthalonitrile, 4-(3-aminophenoxy)benzene-1,2-dicarbonitrile, 1,2-Benzenedicarbonitrile, 4-(3-aminophenoxy)-, J2.991.876G, 1-Piperazinecarboxamide,N-(2-hydroxyethyl)-4-methyl
| Molecular Formula | C14H9N3O |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.07455 |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 116822-66-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C#N)C#N)N |
| InChIKey | UKBHTTQHEPMYPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-氨基苯氧基)邻苯二甲腈 (CAS 116822-66-3), with molecular formula C14H9N3O and molecular weight 235.07 g/mol. IUPAC: 4-(3-aminophenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(3-氨基苯氧基)邻苯二甲腈
Property Insights of 4-(3-氨基苯氧基)邻苯二甲腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-氨基苯氧基)邻苯二甲腈. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-氨基苯氧基)邻苯二甲腈. Following Lipinski's Rule of Five, 4-(3-氨基苯氧基)邻苯二甲腈 has 1 hydrogen bond donor(s) and 4 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-(3-氨基苯氧基)邻苯二甲腈?
The CAS number of 4-(3-氨基苯氧基)邻苯二甲腈 is 116822-66-3.
What is the molecular formula of 4-(3-氨基苯氧基)邻苯二甲腈?
The molecular formula of 4-(3-氨基苯氧基)邻苯二甲腈 is C14H9N3O.
What is the molecular weight of 4-(3-氨基苯氧基)邻苯二甲腈?
The molecular weight of 4-(3-氨基苯氧基)邻苯二甲腈 is 235.07 g/mol.
Where can I buy 4-(3-氨基苯氧基)邻苯二甲腈?
You can request a quote for 4-(3-氨基苯氧基)邻苯二甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-氨基苯氧基)邻苯二甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-氨基苯氧基)邻苯二甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.