![butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate structure](/static/products/305/305864-61-3.png)
butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate
TL;DR: butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate (CAS 305864-61-3) is a chemical compound with molecular formula C29H30ClN3O3 and molecular weight 503.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate
Also Known As: butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate, butyl 4-(((4-chlorophenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl)amino)benzoate, Butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]amino]benzoate, butyl 4-{[(4-chlorophenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]amino}benzoate
| Molecular Formula | C29H30ClN3O3 |
|---|---|
| Molecular Weight | 503.20 g/mol |
| LogP | 6.29622 |
| Topological Polar Surface Area | 65.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.19757 |
| Heavy Atoms | 36 |
| Complexity | 1374.5392 |
Chemical Identifiers
| CAS Number | 305864-61-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)Cl)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
Product Overview
butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate (CAS 305864-61-3), with molecular formula C29H30ClN3O3 and molecular weight 503.20 g/mol. IUPAC: butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate.
Chemical Property Profile of butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate
Property Insights of butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate
The XLogP value of 6.29622 indicates that butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.26 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate. Following Lipinski's Rule of Five, butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate?
The CAS number of butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate is 305864-61-3.
What is the molecular formula of butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate?
The molecular formula of butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate is C29H30ClN3O3.
What is the molecular weight of butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate?
The molecular weight of butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate is 503.20 g/mol.
Where can I buy butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate?
You can request a quote for butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-[[(4-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.