3-((甲氨基)羰基)-5-硝基苯甲酸
TL;DR: 3-((甲氨基)羰基)-5-硝基苯甲酸 (CAS 1954-97-8) is a chemical compound with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-((甲氨基)羰基)-5-硝基苯甲酸
3-(methylcarbamoyl)-5-nitrobenzoic acid
Also Known As: 3-(methylcarbamoyl)-5-nitrobenzoic acid, 3-[(Methylamino)carbonyl]-5-nitrobenzoic acid, N-Methyl-5-nitro-isophthalamic Acid, 3-((Methylamino)carbonyl)-5-nitrobenzoic acid, 3-CARBOXY-5-NITRO-N-METHYLBENZAMIDE
| Molecular Formula | C9H8N2O5 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.04332 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 1954-97-8 |
|---|---|
| SMILES | CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | GVKLFFIPALKQFM-UHFFFAOYSA-N |
Product Overview
3-((甲氨基)羰基)-5-硝基苯甲酸 (CAS 1954-97-8), with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol. IUPAC: 3-(methylcarbamoyl)-5-nitrobenzoic acid.
Chemical Property Profile of 3-((甲氨基)羰基)-5-硝基苯甲酸
Property Insights of 3-((甲氨基)羰基)-5-硝基苯甲酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((甲氨基)羰基)-5-硝基苯甲酸. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((甲氨基)羰基)-5-硝基苯甲酸. Following Lipinski's Rule of Five, 3-((甲氨基)羰基)-5-硝基苯甲酸 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 3-((甲氨基)羰基)-5-硝基苯甲酸?
The CAS number of 3-((甲氨基)羰基)-5-硝基苯甲酸 is 1954-97-8.
What is the molecular formula of 3-((甲氨基)羰基)-5-硝基苯甲酸?
The molecular formula of 3-((甲氨基)羰基)-5-硝基苯甲酸 is C9H8N2O5.
What is the molecular weight of 3-((甲氨基)羰基)-5-硝基苯甲酸?
The molecular weight of 3-((甲氨基)羰基)-5-硝基苯甲酸 is 224.04 g/mol.
Where can I buy 3-((甲氨基)羰基)-5-硝基苯甲酸?
You can request a quote for 3-((甲氨基)羰基)-5-硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((甲氨基)羰基)-5-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-((甲氨基)羰基)-5-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.