![Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate structure](/static/products/4782/478246-33-2.webp)
Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate
TL;DR: Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate (CAS 478246-33-2) is a chemical compound with molecular formula C20H23N3O6 and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate
Also Known As: methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate, 9N-018, methyl 4-[4-(2,4-dimethoxyphenyl)piperazino]-3-nitrobenzenecarboxylate, methyl4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate
| Molecular Formula | C20H23N3O6 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 2.7252 |
| Topological Polar Surface Area | 94.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1587 |
| Heavy Atoms | 29 |
| Complexity | 909.0847 |
Chemical Identifiers
| CAS Number | 478246-33-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-])OC |
Product Overview
Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate (CAS 478246-33-2), with molecular formula C20H23N3O6 and molecular weight 401.16 g/mol. IUPAC: methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate
Property Insights of Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate
The XLogP value of 2.7252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate. The TPSA of 94.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate has 0 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 Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate?
The CAS number of Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate is 478246-33-2.
What is the molecular formula of Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate?
The molecular formula of Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate is C20H23N3O6.
What is the molecular weight of Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate?
The molecular weight of Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate is 401.16 g/mol.
Where can I buy Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate?
You can request a quote for Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.