Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate
TL;DR: Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate (CAS 792946-68-0) is a chemical compound with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate
Also Known As: methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate, BAS 12229872, BB 0244735, 3-Amino-4-(4-benzyl-piperazin-1-yl)-benzoic acid methyl ester, AP-970/43374124
| Molecular Formula | C19H23N3O2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 2.3776 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.17902 |
| Heavy Atoms | 24 |
| Complexity | 695.013 |
Chemical Identifiers
| CAS Number | 792946-68-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)N |
Product Overview
Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate (CAS 792946-68-0), with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol. IUPAC: methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate
Property Insights of Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate
The XLogP value of 2.3776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate. With a topological polar surface area (TPSA) of 58.8 Ų, Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-4-(4-benzylpiperazin-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-benzylpiperazin-1-yl)benzoate?
The CAS number of Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate is 792946-68-0.
What is the molecular formula of Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate?
The molecular formula of Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate is C19H23N3O2.
What is the molecular weight of Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate?
The molecular weight of Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate is 325.18 g/mol.
Where can I buy Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate?
You can request a quote for Methyl 3-amino-4-(4-benzylpiperazin-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-benzylpiperazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.