4'-乙酰氨基苯基4-脒基苯甲酸酯
TL;DR: 4'-乙酰氨基苯基4-脒基苯甲酸酯 (CAS 79126-29-7) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-乙酰氨基苯基4-脒基苯甲酸酯
(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
| Molecular Formula | C16H16N4O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.12225 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 79126-29-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N |
| InChIKey | VACGBZYEDFQOIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-乙酰氨基苯基4-脒基苯甲酸酯 (CAS 79126-29-7), with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol. IUPAC: (4-acetamidophenyl) 4-(diaminomethylideneamino)benzoate.
Chemical Property Profile of 4'-乙酰氨基苯基4-脒基苯甲酸酯
Property Insights of 4'-乙酰氨基苯基4-脒基苯甲酸酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-乙酰氨基苯基4-脒基苯甲酸酯. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-乙酰氨基苯基4-脒基苯甲酸酯. Following Lipinski's Rule of Five, 4'-乙酰氨基苯基4-脒基苯甲酸酯 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
Frequently Asked Questions
What is the CAS number of 4'-乙酰氨基苯基4-脒基苯甲酸酯?
The CAS number of 4'-乙酰氨基苯基4-脒基苯甲酸酯 is 79126-29-7.
What is the molecular formula of 4'-乙酰氨基苯基4-脒基苯甲酸酯?
The molecular formula of 4'-乙酰氨基苯基4-脒基苯甲酸酯 is C16H16N4O3.
What is the molecular weight of 4'-乙酰氨基苯基4-脒基苯甲酸酯?
The molecular weight of 4'-乙酰氨基苯基4-脒基苯甲酸酯 is 312.12 g/mol.
Where can I buy 4'-乙酰氨基苯基4-脒基苯甲酸酯?
You can request a quote for 4'-乙酰氨基苯基4-脒基苯甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-乙酰氨基苯基4-脒基苯甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4'-乙酰氨基苯基4-脒基苯甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.