3-Cyclopropyl-4-nitrobenzoic acid
TL;DR: 3-Cyclopropyl-4-nitrobenzoic acid (CAS 368433-86-7) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclopropyl-4-nitrobenzoic acid
Also Known As: 3-cyclopropyl-4-nitrobenzoic acid, 3-cyclopropyl-4-nitro-benzoic Acid, Benzoicacid,3-cyclopropyl-4-nitro-, Benzoic acid, 3-cyclopropyl-4-nitro-, Benzoic acid, 3-cyclopropyl-4-nitro- (9CI)
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.1704 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 437.04858 |
Chemical Identifiers
| CAS Number | 368433-86-7 |
|---|---|
| SMILES | C1CC1C2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
3-Cyclopropyl-4-nitrobenzoic acid (CAS 368433-86-7), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 3-cyclopropyl-4-nitrobenzoic acid.
Chemical Property Profile of 3-Cyclopropyl-4-nitrobenzoic acid
Property Insights of 3-Cyclopropyl-4-nitrobenzoic acid
The XLogP value of 2.1704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclopropyl-4-nitrobenzoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyclopropyl-4-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Cyclopropyl-4-nitrobenzoic acid has 1 hydrogen bond donor(s) and 3 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-Cyclopropyl-4-nitrobenzoic acid?
The CAS number of 3-Cyclopropyl-4-nitrobenzoic acid is 368433-86-7.
What is the molecular formula of 3-Cyclopropyl-4-nitrobenzoic acid?
The molecular formula of 3-Cyclopropyl-4-nitrobenzoic acid is C10H9NO4.
What is the molecular weight of 3-Cyclopropyl-4-nitrobenzoic acid?
The molecular weight of 3-Cyclopropyl-4-nitrobenzoic acid is 207.05 g/mol.
Where can I buy 3-Cyclopropyl-4-nitrobenzoic acid?
You can request a quote for 3-Cyclopropyl-4-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclopropyl-4-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclopropyl-4-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.