3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid
TL;DR: 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid (CAS 524032-46-0) is a chemical compound with molecular formula C12H8N4O5 and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic acid
Also Known As: 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid, 3-nitro-5-[(pyrimidin-2-ylamino)carbonyl]benzoic acid
| Molecular Formula | C12H8N4O5 |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 1.3353 |
| Topological Polar Surface Area | 135.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.04947 |
| Heavy Atoms | 21 |
| Complexity | 684.59265 |
Chemical Identifiers
| CAS Number | 524032-46-0 |
|---|---|
| SMILES | C1=CN=C(N=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O |
Product Overview
3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid (CAS 524032-46-0), with molecular formula C12H8N4O5 and molecular weight 288.05 g/mol. IUPAC: 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic acid.
Chemical Property Profile of 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid
Property Insights of 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid
The XLogP value of 1.3353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid. The TPSA of 135.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid. Following Lipinski's Rule of Five, 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid has 2 hydrogen bond donor(s) and 6 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-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid?
The CAS number of 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid is 524032-46-0.
What is the molecular formula of 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid?
The molecular formula of 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid is C12H8N4O5.
What is the molecular weight of 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid?
The molecular weight of 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid is 288.05 g/mol.
Where can I buy 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid?
You can request a quote for 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-5-(pyrimidin-2-ylcarbamoyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.