对((二氰甲基)偶氮)苯甲酸乙酯
TL;DR: 对((二氰甲基)偶氮)苯甲酸乙酯 (CAS 3720-47-6) is a chemical compound with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对((二氰甲基)偶氮)苯甲酸乙酯
ethyl 4-(dicyanomethyldiazenyl)benzoate
Also Known As: p-((Dicyanomethyl)azo)benzoic acid ethyl ester, ethyl 4-(dicyanomethyldiazenyl)benzoate, Phenyl-azo-malonitril-4-karbonsaeure-aethyl-ester, Phenyl-azo-malonitril-4-karbonsaeure-aethyl-ester [German], BENZOIC ACID, p-((DICYANOMETHYL)AZO)-, ETHYL ESTER
| Molecular Formula | C12H10N4O2 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 98.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.08037 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 3720-47-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC(C#N)C#N |
| InChIKey | BFPXLOFMOHHXNB-UHFFFAOYSA-N |
Product Overview
对((二氰甲基)偶氮)苯甲酸乙酯 (CAS 3720-47-6), with molecular formula C12H10N4O2 and molecular weight 242.08 g/mol. IUPAC: ethyl 4-(dicyanomethyldiazenyl)benzoate.
Chemical Property Profile of 对((二氰甲基)偶氮)苯甲酸乙酯
Property Insights of 对((二氰甲基)偶氮)苯甲酸乙酯
The XLogP value of 3.0 indicates that 对((二氰甲基)偶氮)苯甲酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 对((二氰甲基)偶氮)苯甲酸乙酯. Following Lipinski's Rule of Five, 对((二氰甲基)偶氮)苯甲酸乙酯 has 0 hydrogen bond donor(s) and 6 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 对((二氰甲基)偶氮)苯甲酸乙酯?
The CAS number of 对((二氰甲基)偶氮)苯甲酸乙酯 is 3720-47-6.
What is the molecular formula of 对((二氰甲基)偶氮)苯甲酸乙酯?
The molecular formula of 对((二氰甲基)偶氮)苯甲酸乙酯 is C12H10N4O2.
What is the molecular weight of 对((二氰甲基)偶氮)苯甲酸乙酯?
The molecular weight of 对((二氰甲基)偶氮)苯甲酸乙酯 is 242.08 g/mol.
Where can I buy 对((二氰甲基)偶氮)苯甲酸乙酯?
You can request a quote for 对((二氰甲基)偶氮)苯甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对((二氰甲基)偶氮)苯甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 对((二氰甲基)偶氮)苯甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.