![4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid structure](/static/products/3129/312921-83-8.webp)
4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid
TL;DR: 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid (CAS 312921-83-8) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid
Also Known As: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid, A1874/0078846, 4-[4-(2-methoxyphenyl)piperazinyl]-3-nitrobenzoic acid, Benzoic acid, 4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-nitro-, 4-[4-(2-Methoxyphenyl)-1-piperazinyl]-3-Nitrobenzoic acid
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 2.6282 |
| Topological Polar Surface Area | 96.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 831.3263 |
Chemical Identifiers
| CAS Number | 312921-83-8 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid (CAS 312921-83-8), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid.
Chemical Property Profile of 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid
Property Insights of 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid
The XLogP value of 2.6282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid. The TPSA of 96.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic 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 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid?
The CAS number of 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid is 312921-83-8.
What is the molecular formula of 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid?
The molecular formula of 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid is C18H19N3O5.
What is the molecular weight of 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid?
The molecular weight of 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid is 357.13 g/mol.
Where can I buy 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid?
You can request a quote for 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.