Methyl 4-(3,4-dicyanophenoxy)benzoate
TL;DR: Methyl 4-(3,4-dicyanophenoxy)benzoate (CAS 355809-09-5) is a chemical compound with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,4-dicyanophenoxy)benzoate
Also Known As: methyl 4-(3,4-dicyanophenoxy)benzoate, J3.508.680C, 4-(3,4-Dicyanophenoxy)benzoic acid methyl ester
| Molecular Formula | C16H10N2O3 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 3.00886 |
| Topological Polar Surface Area | 83.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.06915 |
| Heavy Atoms | 21 |
| Complexity | 752.572 |
Chemical Identifiers
| CAS Number | 355809-09-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N |
Product Overview
Methyl 4-(3,4-dicyanophenoxy)benzoate (CAS 355809-09-5), with molecular formula C16H10N2O3 and molecular weight 278.07 g/mol. IUPAC: methyl 4-(3,4-dicyanophenoxy)benzoate.
Chemical Property Profile of Methyl 4-(3,4-dicyanophenoxy)benzoate
Property Insights of Methyl 4-(3,4-dicyanophenoxy)benzoate
The XLogP value of 3.00886 indicates that Methyl 4-(3,4-dicyanophenoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3,4-dicyanophenoxy)benzoate. Following Lipinski's Rule of Five, Methyl 4-(3,4-dicyanophenoxy)benzoate has 0 hydrogen bond donor(s) and 5 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 Methyl 4-(3,4-dicyanophenoxy)benzoate?
The CAS number of Methyl 4-(3,4-dicyanophenoxy)benzoate is 355809-09-5.
What is the molecular formula of Methyl 4-(3,4-dicyanophenoxy)benzoate?
The molecular formula of Methyl 4-(3,4-dicyanophenoxy)benzoate is C16H10N2O3.
What is the molecular weight of Methyl 4-(3,4-dicyanophenoxy)benzoate?
The molecular weight of Methyl 4-(3,4-dicyanophenoxy)benzoate is 278.07 g/mol.
Where can I buy Methyl 4-(3,4-dicyanophenoxy)benzoate?
You can request a quote for Methyl 4-(3,4-dicyanophenoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3,4-dicyanophenoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3,4-dicyanophenoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.