4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate
TL;DR: 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate (CAS 21658-26-4) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-(diaminomethylideneamino)benzoate
Also Known As: 4-Nitrophenyl 4-guanidinobenzoate, NPGB, NPGB (hydrochloride), 4-Nitrophenyl 4'-guanidinobenzoate, Nitrophenyl p-guanidinobenzoate
| Molecular Formula | C14H12N4O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.08585 |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 21658-26-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N |
| InChIKey | CFOQGBUQTOGYKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate (CAS 21658-26-4), with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol. IUPAC: (4-nitrophenyl) 4-(diaminomethylideneamino)benzoate.
Chemical Property Profile of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate
Property Insights of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate has 2 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 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate?
The CAS number of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate is 21658-26-4.
What is the molecular formula of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate?
The molecular formula of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate is C14H12N4O4.
What is the molecular weight of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate?
The molecular weight of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate is 300.09 g/mol.
Where can I buy 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate?
You can request a quote for 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.