2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid
TL;DR: 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid (CAS 1008005-95-5) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperidin-1-yl)-5-nitrobenzoic acid
Also Known As: 2-(4-methylpiperidin-1-yl)-5-nitrobenzoic acid, 5-Nitro-2-(4-methylpiperidin-1-yl)benzoic acid, 2- -5-NITROBENZOICACID, Benzoic acid,2-(4-methyl-1-piperidinyl)-5-nitro-, 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 2.5293 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 507.36472 |
Chemical Identifiers
| CAS Number | 1008005-95-5 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid (CAS 1008005-95-5), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: 2-(4-methylpiperidin-1-yl)-5-nitrobenzoic acid.
Chemical Property Profile of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid
Property Insights of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid
The XLogP value of 2.5293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 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-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
The CAS number of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid is 1008005-95-5.
What is the molecular formula of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
The molecular formula of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid is C13H16N2O4.
What is the molecular weight of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
The molecular weight of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid is 264.11 g/mol.
Where can I buy 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
You can request a quote for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic 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-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.