Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)-
TL;DR: Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- (CAS 54978-20-0) is a chemical compound with molecular formula C4H7N5O4 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[(E)-[amino(nitramido)methylidene]hydrazinylidene]propanoic acid
Also Known As: 3-amino-n-benzyl-benzamide, N-(Carboxyethylidene)nitroaminoguanidine, Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)-, 3-((Imino(nitroamino)methyl)hydrazono)propanoic acid, 3-(N'-nitramidocarbamimidoyl)iminopropanoic acid
| Molecular Formula | C4H7N5O4 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | -1.4571 |
| Topological Polar Surface Area | 143.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.0498 |
| Heavy Atoms | 13 |
| Complexity | 259.26 |
Chemical Identifiers
| CAS Number | 54978-20-0 |
|---|---|
| SMILES | C(/C=N/N=C(\N)/N[N+](=O)[O-])C(=O)O |
Product Overview
Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- (CAS 54978-20-0), with molecular formula C4H7N5O4 and molecular weight 189.05 g/mol. IUPAC: (3E)-3-[(E)-[amino(nitramido)methylidene]hydrazinylidene]propanoic acid.
Chemical Property Profile of Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)-
Property Insights of Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)-
The XLogP value of -1.4571 indicates that Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.21 Ų indicates high polarity, suggesting Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- has 3 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 Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)-?
The CAS number of Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- is 54978-20-0.
What is the molecular formula of Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)-?
The molecular formula of Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- is C4H7N5O4.
What is the molecular weight of Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)-?
The molecular weight of Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- is 189.05 g/mol.
Where can I buy Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)-?
You can request a quote for Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-((imino(nitroamino)methyl)hydrazono)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.