![3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid structure](/static/products/5148/514817-95-9.webp)
3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid
TL;DR: 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid (CAS 514817-95-9) is a chemical compound with molecular formula C19H18ClN3O4 and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylbenzoic acid
Also Known As: 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid, 3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylbenzoic acid, 3-(5-((4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carboxamido)-4-methylbenzoic acid, 3-[({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furyl}carbonyl)amino]-4-methylbenzoic acid, 3-[({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)amino]-4-methylbenzoic acid
| Molecular Formula | C19H18ClN3O4 |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 4.05356 |
| Topological Polar Surface Area | 97.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.09857 |
| Heavy Atoms | 27 |
| Complexity | 1035.752 |
Chemical Identifiers
| CAS Number | 514817-95-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Cl)C |
Product Overview
3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid (CAS 514817-95-9), with molecular formula C19H18ClN3O4 and molecular weight 387.10 g/mol. IUPAC: 3-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-methylbenzoic acid.
Chemical Property Profile of 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid
Property Insights of 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid
The XLogP value of 4.05356 indicates that 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid has 2 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 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid?
The CAS number of 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid is 514817-95-9.
What is the molecular formula of 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid?
The molecular formula of 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid is C19H18ClN3O4.
What is the molecular weight of 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid?
The molecular weight of 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid is 387.10 g/mol.
Where can I buy 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid?
You can request a quote for 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.