![4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID structure](/static/products/7102/710288-55-4.webp)
4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID
TL;DR: 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID (CAS 710288-55-4) is a chemical compound with molecular formula C21H16F3N3O3S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]benzoic acid
Also Known As: 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID, 4-[[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]benzoic Acid, 4-({2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-ylthio]acetylamino}methyl)benzo ic acid
| Molecular Formula | C21H16F3N3O3S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 4.2691 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.08646 |
| Heavy Atoms | 31 |
| Complexity | 1074.7233 |
Chemical Identifiers
| CAS Number | 710288-55-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)C(=O)O)C(F)(F)F |
Product Overview
4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID (CAS 710288-55-4), with molecular formula C21H16F3N3O3S and molecular weight 447.09 g/mol. IUPAC: 4-[[[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]methyl]benzoic acid.
Chemical Property Profile of 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID
Property Insights of 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID
The XLogP value of 4.2691 indicates that 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID. Following Lipinski's Rule of Five, 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID has 2 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 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID?
The CAS number of 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID is 710288-55-4.
What is the molecular formula of 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID?
The molecular formula of 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID is C21H16F3N3O3S.
What is the molecular weight of 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID?
The molecular weight of 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID is 447.09 g/mol.
Where can I buy 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID?
You can request a quote for 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-{[4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)METHYL]BENZOIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.