4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride
TL;DR: 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride (CAS 19135-17-2) is a chemical compound with molecular formula C14H13ClN4O4 and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride
Also Known As: NPGB, 4-Nitrophenyl 4-guanidinobenzoate hydrochloride, pNPGB, NPGB (hydrochloride), EINECS 242-831-3
| Molecular Formula | C14H13ClN4O4 |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 2.1407 |
| Topological Polar Surface Area | 133.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.06253 |
| Heavy Atoms | 23 |
| Complexity | 725.4474 |
Chemical Identifiers
| CAS Number | 19135-17-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N.Cl |
Product Overview
4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride (CAS 19135-17-2), with molecular formula C14H13ClN4O4 and molecular weight 336.06 g/mol. IUPAC: (4-nitrophenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride.
Chemical Property Profile of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride
Property Insights of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride
The XLogP value of 2.1407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride. The TPSA of 133.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride. Following Lipinski's Rule of Five, 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride 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 monohydrochloride?
The CAS number of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride is 19135-17-2.
What is the molecular formula of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride?
The molecular formula of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride is C14H13ClN4O4.
What is the molecular weight of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride?
The molecular weight of 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride is 336.06 g/mol.
Where can I buy 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride?
You can request a quote for 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride 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 monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.