![Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate structure](/static/products/1642/164221-23-2.webp)
Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate
TL;DR: Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate (CAS 164221-23-2) is a chemical compound with molecular formula C23H24ClN3O2 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1H-pyrrole-2-carboxylate
Also Known As: Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate, Methyl 3-(4-benzyl-1-piperazinyl)-4-(4-chlorophenyl)-1H-pyrrole-2-carboxylate, methyl 3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1H-pyrrole-2-carboxylate, 3-(4-Benzyl-piprazin-1-yl)-4-(4-chlorphenyl)-1H-pyrrol-2-carboxylic acid, methyl ester, Methyl 3-(4-benzyl-1-piperazinyl)-4-(4-chlorophenyl)-1H-pyrrole-2-carboxylate #
| Molecular Formula | C23H24ClN3O2 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.1557 |
| Heavy Atoms | 29 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 164221-23-2 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)Cl)N3CCN(CC3)CC4=CC=CC=C4 |
| InChIKey | IZJMZUNDOPRLBL-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate (CAS 164221-23-2), with molecular formula C23H24ClN3O2 and molecular weight 409.16 g/mol. IUPAC: methyl 3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate
Property Insights of Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate
The XLogP value of 4.6 indicates that Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate?
The CAS number of Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate is 164221-23-2.
What is the molecular formula of Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate?
The molecular formula of Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate is C23H24ClN3O2.
What is the molecular weight of Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate?
The molecular weight of Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate is 409.16 g/mol.
Where can I buy Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate?
You can request a quote for Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.