Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate
TL;DR: Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate (CAS 65639-65-8) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate
Also Known As: methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate, methyl 3-amino-4-(4-phenylpiperazino)benzenecarboxylate, methyl3-amino-4-(4-phenylpiperazin-1-yl)benzoate, Benzoic acid, 3-amino-4-(4-phenyl-1-piperazinyl)-, methyl ester
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 2.382 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 679.92096 |
Chemical Identifiers
| CAS Number | 65639-65-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)N |
Product Overview
Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate (CAS 65639-65-8), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate
Property Insights of Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate
The XLogP value of 2.382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate. With a topological polar surface area (TPSA) of 58.8 Ų, Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-4-(4-phenylpiperazin-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-phenylpiperazin-1-yl)benzoate?
The CAS number of Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate is 65639-65-8.
What is the molecular formula of Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate?
The molecular formula of Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate is C18H21N3O2.
What is the molecular weight of Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate?
The molecular weight of Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate is 311.16 g/mol.
Where can I buy Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate?
You can request a quote for Methyl 3-amino-4-(4-phenylpiperazin-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-phenylpiperazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-(4-phenylpiperazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.