![methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate structure](/static/products/4942/494219-89-5.webp)
methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate
TL;DR: methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate (CAS 494219-89-5) is a chemical compound with molecular formula C18H15ClN4O4S and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate
Also Known As: methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate, methyl 4-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}benzoate, methyl 4-(3-(5-((4-chloro-1H-pyrazol-1-yl)methyl)furan-2-carbonyl)thioureido)benzoate, Methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]thiocarbamoylamino]benzoate, METHYL 4-({[({5-[(4-CHLORO-1H-PYRAZOL-1-YL)METHYL]-2-FURYL}CARBONYL)AMINO]CARBOTHIOYL}AMINO)BENZOATE
| Molecular Formula | C18H15ClN4O4S |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 3.0912 |
| Topological Polar Surface Area | 98.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.05026 |
| Heavy Atoms | 28 |
| Complexity | 1012.7794 |
Chemical Identifiers
| CAS Number | 494219-89-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl |
Product Overview
methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate (CAS 494219-89-5), with molecular formula C18H15ClN4O4S and molecular weight 418.05 g/mol. IUPAC: methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate.
Chemical Property Profile of methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate
Property Insights of methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate
The XLogP value of 3.0912 indicates that methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.39 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate. Following Lipinski's Rule of Five, methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate has 2 hydrogen bond donor(s) and 6 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-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate?
The CAS number of methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate is 494219-89-5.
What is the molecular formula of methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate?
The molecular formula of methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate is C18H15ClN4O4S.
What is the molecular weight of methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate?
The molecular weight of methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate is 418.05 g/mol.
Where can I buy methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate?
You can request a quote for methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.