5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester
TL;DR: 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester (CAS 886360-73-2) 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 5-nitro-2-piperazin-1-ylbenzoate
Also Known As: 2-fluorobenzylbromide, 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester, methyl 5-nitro-2-piperazinobenzenecarboxylate, methyl 5-nitro-2-(piperazin-1-yl)benzoate, methyl 5-nitro-2-piperazin-1-ylbenzoate
| 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 | 886360-73-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCNCC2 |
Product Overview
5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester (CAS 886360-73-2), with molecular formula C12H15N3O4 and molecular weight 265.11 g/mol. IUPAC: methyl 5-nitro-2-piperazin-1-ylbenzoate.
Chemical Property Profile of 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester
Property Insights of 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester
The XLogP value of 0.791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester. Following Lipinski's Rule of Five, 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester 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 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester?
The CAS number of 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester is 886360-73-2.
What is the molecular formula of 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester?
The molecular formula of 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester is C12H15N3O4.
What is the molecular weight of 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester?
The molecular weight of 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester is 265.11 g/mol.
Where can I buy 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester?
You can request a quote for 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.