Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate
TL;DR: Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate (CAS 329932-25-4) is a chemical compound with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate
Also Known As: BIM-0000610.P001, methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate, methyl 3-[(4-methylpiperazin-1-yl)carbonyl]-5-nitrobenzoate, methyl 3-[(4-methylpiperazinyl)carbonyl]-5-nitrobenzoate, METHYL 3-[(4-METHYLPIPERAZINO)CARBONYL]-5-NITROBENZOATE
| Molecular Formula | C14H17N3O5 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.11682 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 329932-25-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC |
| InChIKey | WAFVDTBHORAOJO-UHFFFAOYSA-N |
Product Overview
Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate (CAS 329932-25-4), with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol. IUPAC: methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate
Property Insights of Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate has 0 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-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate?
The CAS number of Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate is 329932-25-4.
What is the molecular formula of Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate?
The molecular formula of Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate is C14H17N3O5.
What is the molecular weight of Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate?
The molecular weight of Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate is 307.12 g/mol.
Where can I buy Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate?
You can request a quote for Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-methylpiperazine-1-carbonyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.