![3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid structure](/static/products/908/90844-95-4.png)
3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid
TL;DR: 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid (CAS 90844-95-4) is a chemical compound with molecular formula C10H10BrN3O4 and molecular weight 314.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(2-nitrophenyl)carbamoyl]propanamide
Also Known As: 3-bromo-n-[(2-nitrophenyl)carbamoyl]propanamide, 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid
| Molecular Formula | C10H10BrN3O4 |
|---|---|
| Molecular Weight | 314.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.98547 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 90844-95-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)NC(=O)CCBr)[N+](=O)[O-] |
| InChIKey | QFMUVZAXYHOICA-UHFFFAOYSA-N |
Product Overview
3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid (CAS 90844-95-4), with molecular formula C10H10BrN3O4 and molecular weight 314.99 g/mol. IUPAC: 3-bromo-N-[(2-nitrophenyl)carbamoyl]propanamide.
Chemical Property Profile of 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid
Property Insights of 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid. Following Lipinski's Rule of Five, 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid has 2 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 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid?
The CAS number of 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid is 90844-95-4.
What is the molecular formula of 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid?
The molecular formula of 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid is C10H10BrN3O4.
What is the molecular weight of 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid?
The molecular weight of 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid is 314.99 g/mol.
Where can I buy 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid?
You can request a quote for 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-N-{hydroxy[(2-nitrophenyl)imino]methyl}propanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.