Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate
TL;DR: Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate (CAS 65639-61-4) is a chemical compound with molecular formula C13H19N3O2 and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate
Also Known As: methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate, BAS 12766387, BB 0245075, Methyl3-amino-4-(4-methylpiperazin-1-yl)benzoate, AP-970/43374078
| Molecular Formula | C13H19N3O2 |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 0.8072 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.14772 |
| Heavy Atoms | 18 |
| Complexity | 439.86255 |
Chemical Identifiers
| CAS Number | 65639-61-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)N |
Product Overview
Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate (CAS 65639-61-4), with molecular formula C13H19N3O2 and molecular weight 249.15 g/mol. IUPAC: methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate
Property Insights of Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate
The XLogP value of 0.8072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate. With a topological polar surface area (TPSA) of 58.8 Ų, Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate has 1 hydrogen bond donor(s) and 5 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-amino-4-(4-methylpiperazin-1-yl)benzoate?
The CAS number of Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate is 65639-61-4.
What is the molecular formula of Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate?
The molecular formula of Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate is C13H19N3O2.
What is the molecular weight of Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate?
The molecular weight of Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate is 249.15 g/mol.
Where can I buy Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate?
You can request a quote for Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-(4-methylpiperazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.