2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸
TL;DR: 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸 (CAS 640290-67-1) is a chemical compound with molecular formula C15H8F7NO3 and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸
2-hydroxy-5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]benzoic acid
Also Known As: Nelonemdaz, Nelonemdaz [INN], Salfaprodil free base, NEU-2000-kl, 2-hydroxy-5-(2,3,5,6-tetrafluoro-4-trifluoromethyl-benzylamino)benzoic acid
| Molecular Formula | C15H8F7NO3 |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 4.2777 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.03925 |
| Heavy Atoms | 26 |
| Complexity | 851.51447 |
Chemical Identifiers
| CAS Number | 640290-67-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)C(=O)O)O |
Product Overview
2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸 (CAS 640290-67-1), with molecular formula C15H8F7NO3 and molecular weight 383.04 g/mol. IUPAC: 2-hydroxy-5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]benzoic acid.
Chemical Property Profile of 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸
Property Insights of 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸
The XLogP value of 4.2777 indicates that 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸. Following Lipinski's Rule of Five, 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸 has 3 hydrogen bond donor(s) and 3 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 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸?
The CAS number of 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸 is 640290-67-1.
What is the molecular formula of 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸?
The molecular formula of 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸 is C15H8F7NO3.
What is the molecular weight of 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸?
The molecular weight of 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸 is 383.04 g/mol.
Where can I buy 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸?
You can request a quote for 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基-5-(4-三氟甲基四氟苄氨基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.