Methyl 3-nitro-4-piperazinobenzenecarboxylate
TL;DR: Methyl 3-nitro-4-piperazinobenzenecarboxylate (CAS 192441-86-4) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-4-piperazin-1-ylbenzoate
Also Known As: Methyl 3-nitro-4-piperazinobenzenecarboxylate, methyl 3-nitro-4-(piperazin-1-yl)benzoate, methyl 3-nitro-4-piperazin-1-ylbenzoate, 3-Nitro-4-piperazin-1-yl-benzoic acid methyl ester, Methyl 3-Nitro-4-(1-piperazinyl)benzoate
| Molecular Formula | C12H15N3O4 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 0.791 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.10626 |
| Heavy Atoms | 19 |
| Complexity | 497.7479 |
Chemical Identifiers
| CAS Number | 192441-86-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-] |
Product Overview
Methyl 3-nitro-4-piperazinobenzenecarboxylate (CAS 192441-86-4), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: methyl 3-nitro-4-piperazin-1-ylbenzoate.
Chemical Property Profile of Methyl 3-nitro-4-piperazinobenzenecarboxylate
Property Insights of Methyl 3-nitro-4-piperazinobenzenecarboxylate
The XLogP value of 0.791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-4-piperazinobenzenecarboxylate. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-4-piperazinobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-nitro-4-piperazinobenzenecarboxylate 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 Methyl 3-nitro-4-piperazinobenzenecarboxylate?
The CAS number of Methyl 3-nitro-4-piperazinobenzenecarboxylate is 192441-86-4.
What is the molecular formula of Methyl 3-nitro-4-piperazinobenzenecarboxylate?
The molecular formula of Methyl 3-nitro-4-piperazinobenzenecarboxylate is C12H15N3O4.
What is the molecular weight of Methyl 3-nitro-4-piperazinobenzenecarboxylate?
The molecular weight of Methyl 3-nitro-4-piperazinobenzenecarboxylate is 265.11 g/mol.
Where can I buy Methyl 3-nitro-4-piperazinobenzenecarboxylate?
You can request a quote for Methyl 3-nitro-4-piperazinobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-nitro-4-piperazinobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-4-piperazinobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.