![isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate structure](/static/products/5148/514817-08-4.webp)
isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate
TL;DR: isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate (CAS 514817-08-4) is a chemical compound with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]benzoate
Also Known As: ChemDiv3_006049, IDI1_023959, BRD-K53164394-001-01-7, isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate, propan-2-yl 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]benzoate
| Molecular Formula | C21H20ClN3O3 |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 4.4023 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.11932 |
| Heavy Atoms | 28 |
| Complexity | 963.3207 |
Chemical Identifiers
| CAS Number | 514817-08-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl |
Product Overview
isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate (CAS 514817-08-4), with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol. IUPAC: propan-2-yl 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]benzoate.
Chemical Property Profile of isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate
Property Insights of isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate
The XLogP value of 4.4023 indicates that isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate. Following Lipinski's Rule of Five, isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)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 isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate?
The CAS number of isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate is 514817-08-4.
What is the molecular formula of isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate?
The molecular formula of isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate is C21H20ClN3O3.
What is the molecular weight of isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate?
The molecular weight of isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate is 397.12 g/mol.
Where can I buy isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate?
You can request a quote for isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 4-({4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.