Methyl 6-(4-benzylpiperazino)nicotinate
TL;DR: Methyl 6-(4-benzylpiperazino)nicotinate (CAS 132521-74-5) 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 6-(4-benzylpiperazin-1-yl)pyridine-3-carboxylate
Also Known As: methyl 6-(4-benzylpiperazino)nicotinate, Methyl 6-(4-benzylpiperazin-1-yl)nicotinate, Methyl 6-(4-benzylpiperazin-1-yl)pyridine-3-carboxylate, methylbenzylpiperazinonicotinate, 9P-667S
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 2.1904 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 635.0761 |
Chemical Identifiers
| CAS Number | 132521-74-5 |
|---|---|
| SMILES | COC(=O)C1=CN=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
Methyl 6-(4-benzylpiperazino)nicotinate (CAS 132521-74-5), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: methyl 6-(4-benzylpiperazin-1-yl)pyridine-3-carboxylate.
Chemical Property Profile of Methyl 6-(4-benzylpiperazino)nicotinate
Property Insights of Methyl 6-(4-benzylpiperazino)nicotinate
The XLogP value of 2.1904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-(4-benzylpiperazino)nicotinate. With a topological polar surface area (TPSA) of 45.67 Ų, Methyl 6-(4-benzylpiperazino)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-(4-benzylpiperazino)nicotinate has 0 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 6-(4-benzylpiperazino)nicotinate?
The CAS number of Methyl 6-(4-benzylpiperazino)nicotinate is 132521-74-5.
What is the molecular formula of Methyl 6-(4-benzylpiperazino)nicotinate?
The molecular formula of Methyl 6-(4-benzylpiperazino)nicotinate is C18H21N3O2.
What is the molecular weight of Methyl 6-(4-benzylpiperazino)nicotinate?
The molecular weight of Methyl 6-(4-benzylpiperazino)nicotinate is 311.16 g/mol.
Where can I buy Methyl 6-(4-benzylpiperazino)nicotinate?
You can request a quote for Methyl 6-(4-benzylpiperazino)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-(4-benzylpiperazino)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-(4-benzylpiperazino)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.