![propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate structure](/static/products/5151/515175-94-7.webp)
propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
TL;DR: propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate (CAS 515175-94-7) is a chemical compound with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
Also Known As: propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate, propyl 4-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate, propyl 4-(5-((4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carboxamido)benzoate, Propyl 4-[[5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate, PROPYL 4-[({5-[(4-CHLORO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-2-FURYL}CARBONYL)AMINO]BENZOATE
| Molecular Formula | C21H22ClN3O4 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 4.61374 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.12988 |
| Heavy Atoms | 29 |
| Complexity | 1021.2283 |
Chemical Identifiers
| CAS Number | 515175-94-7 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Cl)C |
Product Overview
propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate (CAS 515175-94-7), with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol. IUPAC: propyl 4-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate.
Chemical Property Profile of propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
Property Insights of propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
The XLogP value of 4.61374 indicates that propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.36 Ų falls within the moderate polarity range, balancing permeability and solubility for propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate. Following Lipinski's Rule of Five, propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate has 1 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 propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate?
The CAS number of propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate is 515175-94-7.
What is the molecular formula of propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate?
The molecular formula of propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate is C21H22ClN3O4.
What is the molecular weight of propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate?
The molecular weight of propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate is 415.13 g/mol.
Where can I buy propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate?
You can request a quote for propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for propyl 4-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.