2-苄硫基-5-三氟甲基苯甲酸
TL;DR: 2-苄硫基-5-三氟甲基苯甲酸 (CAS 24156-14-7) is a chemical compound with molecular formula C15H11F3O2S and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苄硫基-5-三氟甲基苯甲酸
2-benzylsulfanyl-5-(trifluoromethyl)benzoic acid
Also Known As: BTBA, 2-Benzylthio-5-trifluoromethylbenzoic acid, 2-benzylsulfanyl-5-(trifluoromethyl)benzoic acid, 2-benzylsulfanyl-5- benzoicacid, 2-Benzylthio-5-trifluormethyl-benzoesaeure
| Molecular Formula | C15H11F3O2S |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.04318 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 24156-14-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)O |
| InChIKey | JJFQTKHGJJWAJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苄硫基-5-三氟甲基苯甲酸 (CAS 24156-14-7), with molecular formula C15H11F3O2S and molecular weight 312.04 g/mol. IUPAC: 2-benzylsulfanyl-5-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 2-苄硫基-5-三氟甲基苯甲酸
Property Insights of 2-苄硫基-5-三氟甲基苯甲酸
The XLogP value of 4.3 indicates that 2-苄硫基-5-三氟甲基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-苄硫基-5-三氟甲基苯甲酸. Following Lipinski's Rule of Five, 2-苄硫基-5-三氟甲基苯甲酸 has 1 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 2-苄硫基-5-三氟甲基苯甲酸?
The CAS number of 2-苄硫基-5-三氟甲基苯甲酸 is 24156-14-7.
What is the molecular formula of 2-苄硫基-5-三氟甲基苯甲酸?
The molecular formula of 2-苄硫基-5-三氟甲基苯甲酸 is C15H11F3O2S.
What is the molecular weight of 2-苄硫基-5-三氟甲基苯甲酸?
The molecular weight of 2-苄硫基-5-三氟甲基苯甲酸 is 312.04 g/mol.
Where can I buy 2-苄硫基-5-三氟甲基苯甲酸?
You can request a quote for 2-苄硫基-5-三氟甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苄硫基-5-三氟甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-苄硫基-5-三氟甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.