![3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid structure](/static/products/7149/714962-05-7.webp)
3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid
TL;DR: 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid (CAS 714962-05-7) is a chemical compound with molecular formula C18H12F3N3O3 and molecular weight 375.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoic acid
Also Known As: GNF-2-acid, nchembio760-comp9, 3-[6-(4-trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid, 3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoic acid
| Molecular Formula | C18H12F3N3O3 |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 4.484 |
| Topological Polar Surface Area | 84.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.08307 |
| Heavy Atoms | 27 |
| Complexity | 959.81085 |
Chemical Identifiers
| CAS Number | 714962-05-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid (CAS 714962-05-7), with molecular formula C18H12F3N3O3 and molecular weight 375.08 g/mol. IUPAC: 3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoic acid.
Chemical Property Profile of 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid
Property Insights of 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid
The XLogP value of 4.484 indicates that 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid. Following Lipinski's Rule of Five, 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-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 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid?
The CAS number of 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid is 714962-05-7.
What is the molecular formula of 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid?
The molecular formula of 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid is C18H12F3N3O3.
What is the molecular weight of 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid?
The molecular weight of 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid is 375.08 g/mol.
Where can I buy 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid?
You can request a quote for 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[6-(4-Trifluoromethoxy-phenylamino)-pyrimidin-4-yl]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.