4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-
TL;DR: 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- (CAS 99902-94-0) is a chemical compound with molecular formula C12H6Cl2N2O and molecular weight 263.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenoxy)pyridine-4-carbonitrile
Also Known As: 2-Thiophen-2-yl-benzaldehyde, 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-, 2-(3,4-dichlorophenoxy)pyridine-4-carbonitrile, 2-(3,4-DICHLOROPHENOXY)-4-PYRIDINECARBONITRILE
| Molecular Formula | C12H6Cl2N2O |
|---|---|
| Molecular Weight | 263.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.98572 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 99902-94-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=NC=CC(=C2)C#N)Cl)Cl |
| InChIKey | IFKUMJHUUPRDGR-UHFFFAOYSA-N |
Product Overview
4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- (CAS 99902-94-0), with molecular formula C12H6Cl2N2O and molecular weight 263.99 g/mol. IUPAC: 2-(3,4-dichlorophenoxy)pyridine-4-carbonitrile.
Chemical Property Profile of 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-
Property Insights of 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-
The XLogP value of 3.7 indicates that 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.9 Ų, 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- has 0 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-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
The CAS number of 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- is 99902-94-0.
What is the molecular formula of 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
The molecular formula of 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- is C12H6Cl2N2O.
What is the molecular weight of 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
The molecular weight of 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- is 263.99 g/mol.
Where can I buy 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
You can request a quote for 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.