Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-
TL;DR: Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)- (CAS 99902-87-1) is a chemical compound with molecular formula C13H8Cl2N2O and molecular weight 278.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(3,4-dichlorophenoxy)benzonitrile
Also Known As: 5-amino-2-(3,4-dichlorophenoxy)benzonitrile, Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-
| Molecular Formula | C13H8Cl2N2O |
|---|---|
| Molecular Weight | 278.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.00137 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 99902-87-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)C#N)OC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | QAHQCZWWPMJDRP-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)- (CAS 99902-87-1), with molecular formula C13H8Cl2N2O and molecular weight 278.00 g/mol. IUPAC: 5-amino-2-(3,4-dichlorophenoxy)benzonitrile.
Chemical Property Profile of Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-
Property Insights of Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-
The XLogP value of 3.7 indicates that Benzonitrile, 5-amino-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 59.0 Ų, Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)- 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 Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-?
The CAS number of Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)- is 99902-87-1.
What is the molecular formula of Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-?
The molecular formula of Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)- is C13H8Cl2N2O.
What is the molecular weight of Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-?
The molecular weight of Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)- is 278.00 g/mol.
Where can I buy Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-?
You can request a quote for Benzonitrile, 5-amino-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 Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.