![2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid structure](/static/products/4036/403668-52-0.webp)
2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid
TL;DR: 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid (CAS 403668-52-0) is a chemical compound with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-morpholin-4-yl-3-nitrobenzoyl)benzoic acid
Also Known As: 2-{[4-(morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid, 2-[4-(morpholin-4-yl)-3-nitrobenzoyl]benzoic acid, 2-(4-Morpholino-3-nitrobenzoyl)benzoic acid, 2-(4-morpholin-4-yl-3-nitrobenzoyl)benzoic acid, 2-(4-morpholino-3-nitro-benzoyl)benzoic acid
| Molecular Formula | C18H16N2O6 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 2.3606 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.10083 |
| Heavy Atoms | 26 |
| Complexity | 873.7351 |
Chemical Identifiers
| CAS Number | 403668-52-0 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-] |
Product Overview
2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid (CAS 403668-52-0), with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol. IUPAC: 2-(4-morpholin-4-yl-3-nitrobenzoyl)benzoic acid.
Chemical Property Profile of 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid
Property Insights of 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid
The XLogP value of 2.3606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid has 1 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 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid?
The CAS number of 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid is 403668-52-0.
What is the molecular formula of 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid?
The molecular formula of 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid is C18H16N2O6.
What is the molecular weight of 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid?
The molecular weight of 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid is 356.10 g/mol.
Where can I buy 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid?
You can request a quote for 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Morpholin-4-yl)-3-nitrophenyl]carbonyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.