![2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid structure](/static/products/6972/6972-03-8.webp)
2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid
TL;DR: 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid (CAS 6972-03-8) is a chemical compound with molecular formula C12H11FN2O7 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluoro-4-nitrobenzoyl)amino]pentanedioic acid
Also Known As: n-(3-fluoro-4-nitrobenzoyl)glutamic acid, 2-[(3-fluoro-4-nitrobenzoyl)amino]pentanedioic acid
| Molecular Formula | C12H11FN2O7 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.05502 |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 6972-03-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)F)[N+](=O)[O-] |
| InChIKey | SMODRRRKMBKNDH-UHFFFAOYSA-N |
Product Overview
2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid (CAS 6972-03-8), with molecular formula C12H11FN2O7 and molecular weight 314.06 g/mol. IUPAC: 2-[(3-fluoro-4-nitrobenzoyl)amino]pentanedioic acid.
Chemical Property Profile of 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid
Property Insights of 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid has 3 hydrogen bond donor(s) and 8 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 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid?
The CAS number of 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid is 6972-03-8.
What is the molecular formula of 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid?
The molecular formula of 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid is C12H11FN2O7.
What is the molecular weight of 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid?
The molecular weight of 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid is 314.06 g/mol.
Where can I buy 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid?
You can request a quote for 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Fluoro-4-nitrobenzoyl)amino]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.