4'-Acetamidophenyl 4-guanidinobenzoate
TL;DR: 4'-Acetamidophenyl 4-guanidinobenzoate (CAS 79126-29-7) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-acetamidophenyl) 4-(diaminomethylideneamino)benzoate
Also Known As: 4'-Aagb, 4'-Acetamidophenyl 4-guanidinobenzoate, 4'-Acetamidophenyl4-guanidinobenzoate, 4'-Acetoamidophenyl 4-guadinobenzoate, (4-acetamidophenyl) 4-guanidinobenzoate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H16N4O3 |
| Molecular Weight | 312.12225 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.12225 Da |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N |
| InChIKey | VACGBZYEDFQOIU-UHFFFAOYSA-N |
Product Description
Applications: 4'-Acetamidophenyl 4-guanidinobenzoate is used in pharmaceutical synthesis routes and API production, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4'-Acetamidophenyl 4-guanidinobenzoate (CAS 79126-29-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4'-Acetamidophenyl 4-guanidinobenzoate is a pharmaceutical intermediate identified by CAS number 79126-29-7 and the molecular formula C16H16N4O3 and a molecular weight of 312.12 g/mol. It is also known as 4'-Aagb and 4'-Acetamidophenyl 4-guanidinobenzoate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4'-Acetamidophenyl 4-guanidinobenzoate
Property Insights of 4'-Acetamidophenyl 4-guanidinobenzoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Acetamidophenyl 4-guanidinobenzoate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Acetamidophenyl 4-guanidinobenzoate. Following Lipinski's Rule of Five, 4'-Acetamidophenyl 4-guanidinobenzoate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4'-Acetamidophenyl 4-guanidinobenzoate?
The CAS number of 4'-Acetamidophenyl 4-guanidinobenzoate is 79126-29-7.
What is the molecular formula of 4'-Acetamidophenyl 4-guanidinobenzoate?
The molecular formula of 4'-Acetamidophenyl 4-guanidinobenzoate is C16H16N4O3.
What is the molecular weight of 4'-Acetamidophenyl 4-guanidinobenzoate?
The molecular weight of 4'-Acetamidophenyl 4-guanidinobenzoate is 312.12225 g/mol.
What are the applications of 4'-Acetamidophenyl 4-guanidinobenzoate?
4'-Acetamidophenyl 4-guanidinobenzoate is used in pharmaceutical synthesis routes and API production, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4'-Acetamidophenyl...
Where can I buy 4'-Acetamidophenyl 4-guanidinobenzoate?
You can request a quote for 4'-Acetamidophenyl 4-guanidinobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Acetamidophenyl 4-guanidinobenzoate?
Yes, CoreyChem provides custom synthesis services for 4'-Acetamidophenyl 4-guanidinobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.