12F-314S
TL;DR: 12F-314S (CAS 303997-89-9) is a chemical compound with molecular formula C19H14F5N3O2 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
Also Known As: 12F-314S, N-(2,4-difluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxamide, N-(2,4-difluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
| Molecular Formula | C19H14F5N3O2 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 5.07012 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.10062 |
| Heavy Atoms | 29 |
| Complexity | 1076.1919 |
Chemical Identifiers
| CAS Number | 303997-89-9 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=O)NC2=C(C=C(C=C2)F)F)OC3=CC=CC(=C3)C(F)(F)F)C |
Product Overview
12F-314S (CAS 303997-89-9), with molecular formula C19H14F5N3O2 and molecular weight 411.10 g/mol. IUPAC: N-(2,4-difluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide.
Chemical Property Profile of 12F-314S
Property Insights of 12F-314S
The XLogP value of 5.07012 indicates that 12F-314S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 12F-314S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12F-314S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12F-314S?
The CAS number of 12F-314S is 303997-89-9.
What is the molecular formula of 12F-314S?
The molecular formula of 12F-314S is C19H14F5N3O2.
What is the molecular weight of 12F-314S?
The molecular weight of 12F-314S is 411.10 g/mol.
Where can I buy 12F-314S?
You can request a quote for 12F-314S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12F-314S?
Yes, KEHONG BIO provides custom synthesis services for 12F-314S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.