![Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate structure](/static/products/4000/400086-65-9.webp)
Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate
TL;DR: Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate (CAS 400086-65-9) is a chemical compound with molecular formula C19H20ClN3O2 and molecular weight 357.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-3-carboxylate
Also Known As: allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate, 7G-381S, Prop-2-enyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-3-carboxylate, prop-2-en-1-yl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-3-carboxylate, prop-2-en-1-yl6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-3-carboxylate
| Molecular Formula | C19H20ClN3O2 |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 3.4044 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.1244 |
| Heavy Atoms | 25 |
| Complexity | 740.58936 |
Chemical Identifiers
| CAS Number | 400086-65-9 |
|---|---|
| SMILES | C=CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl |
Product Overview
Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate (CAS 400086-65-9), with molecular formula C19H20ClN3O2 and molecular weight 357.12 g/mol. IUPAC: prop-2-enyl 6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-3-carboxylate.
Chemical Property Profile of Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate
Property Insights of Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate
The XLogP value of 3.4044 indicates that Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.67 Ų, Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 6-[4-(3-chlorophenyl)piperazino]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 Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate?
The CAS number of Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate is 400086-65-9.
What is the molecular formula of Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate?
The molecular formula of Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate is C19H20ClN3O2.
What is the molecular weight of Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate?
The molecular weight of Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate is 357.12 g/mol.
Where can I buy Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate?
You can request a quote for Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 6-[4-(3-chlorophenyl)piperazino]nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.