Arginine-4-nitroanilide
TL;DR: Arginine-4-nitroanilide (CAS 76847-45-5) is a chemical compound with molecular formula C12H18N6O3 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide
Also Known As: Arginine-4-nitroanilide, N-(4-Nitrophenyl)argininamide, 2-Amino-5-guanidino-4'-nitrovaleranilide, Valeranilide, 2-amino-5-guanidino-4'-nitro-, 2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide
| Molecular Formula | C12H18N6O3 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.14404 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 76847-45-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N)N)[N+](=O)[O-] |
| InChIKey | TWYRZWVFWYSNBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Arginine-4-nitroanilide (CAS 76847-45-5), with molecular formula C12H18N6O3 and molecular weight 294.14 g/mol. IUPAC: 2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide.
Chemical Property Profile of Arginine-4-nitroanilide
Property Insights of Arginine-4-nitroanilide
The XLogP value of -0.8 indicates that Arginine-4-nitroanilide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.0 Ų indicates high polarity, suggesting Arginine-4-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arginine-4-nitroanilide has 4 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 Arginine-4-nitroanilide?
The CAS number of Arginine-4-nitroanilide is 76847-45-5.
What is the molecular formula of Arginine-4-nitroanilide?
The molecular formula of Arginine-4-nitroanilide is C12H18N6O3.
What is the molecular weight of Arginine-4-nitroanilide?
The molecular weight of Arginine-4-nitroanilide is 294.14 g/mol.
Where can I buy Arginine-4-nitroanilide?
You can request a quote for Arginine-4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arginine-4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for Arginine-4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.