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Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate
TL;DR: Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate (CAS 701923-57-1) is a chemical compound with molecular formula C19H19Cl2N3O3 and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]amino]benzoate
Also Known As: methyl 2-(4-(3,4-dichlorophenyl)piperazine-1-carboxamido)benzoate, methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate, methyl 2-({[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl}amino)benzoate, methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]amino]benzoate, METHYL 2-({[4-(3,4-DICHLOROPHENYL)PIPERAZINO]CARBONYL}AMINO)BENZOATE
| Molecular Formula | C19H19Cl2N3O3 |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 4.1341 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.08035 |
| Heavy Atoms | 27 |
| Complexity | 851.84357 |
Chemical Identifiers
| CAS Number | 701923-57-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate (CAS 701923-57-1), with molecular formula C19H19Cl2N3O3 and molecular weight 407.08 g/mol. IUPAC: methyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]amino]benzoate.
Chemical Property Profile of Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate
Property Insights of Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate
The XLogP value of 4.1341 indicates that Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate 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 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate?
The CAS number of Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate is 701923-57-1.
What is the molecular formula of Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate?
The molecular formula of Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate is C19H19Cl2N3O3.
What is the molecular weight of Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate?
The molecular weight of Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate is 407.08 g/mol.
Where can I buy Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate?
You can request a quote for Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[4-(3,4-dichlorophenyl)piperazinyl]carbonylamino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.