Isopropyl 2-(4-phenylpiperazino)nicotinate
TL;DR: Isopropyl 2-(4-phenylpiperazino)nicotinate (CAS 338792-72-6) 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.
propan-2-yl 2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
Also Known As: isopropyl 2-(4-phenylpiperazino)nicotinate, Propan-2-yl 2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate, 6G-461S, isopropyl 2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate, Propan-2-yl2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
| Molecular Formula | C19H23N3O2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 2.9734 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.17902 |
| Heavy Atoms | 24 |
| Complexity | 680.02106 |
Chemical Identifiers
| CAS Number | 338792-72-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC=CC=C3 |
Product Overview
Isopropyl 2-(4-phenylpiperazino)nicotinate (CAS 338792-72-6), with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol. IUPAC: propan-2-yl 2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate.
Chemical Property Profile of Isopropyl 2-(4-phenylpiperazino)nicotinate
Property Insights of Isopropyl 2-(4-phenylpiperazino)nicotinate
The XLogP value of 2.9734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 2-(4-phenylpiperazino)nicotinate. With a topological polar surface area (TPSA) of 45.67 Ų, Isopropyl 2-(4-phenylpiperazino)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-(4-phenylpiperazino)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 Isopropyl 2-(4-phenylpiperazino)nicotinate?
The CAS number of Isopropyl 2-(4-phenylpiperazino)nicotinate is 338792-72-6.
What is the molecular formula of Isopropyl 2-(4-phenylpiperazino)nicotinate?
The molecular formula of Isopropyl 2-(4-phenylpiperazino)nicotinate is C19H23N3O2.
What is the molecular weight of Isopropyl 2-(4-phenylpiperazino)nicotinate?
The molecular weight of Isopropyl 2-(4-phenylpiperazino)nicotinate is 325.18 g/mol.
Where can I buy Isopropyl 2-(4-phenylpiperazino)nicotinate?
You can request a quote for Isopropyl 2-(4-phenylpiperazino)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-(4-phenylpiperazino)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-(4-phenylpiperazino)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.