12F-349S
TL;DR: 12F-349S (CAS 303997-98-0) is a chemical compound with molecular formula C19H14F5N3OS and molecular weight 427.08 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)phenyl]sulfanylpyrazole-4-carboxamide
Also Known As: 12F-349S, N-(2,4-difluorophenyl)-1,3-dimethyl-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazole-4-carboxamide, N-(2,4-difluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carboxamide, N-(2,4-difluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-pyrazole-4-carboxamide
| Molecular Formula | C19H14F5N3OS |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 5.42902 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.0778 |
| Heavy Atoms | 29 |
| Complexity | 1078.1919 |
Chemical Identifiers
| CAS Number | 303997-98-0 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=O)NC2=C(C=C(C=C2)F)F)SC3=CC=CC(=C3)C(F)(F)F)C |
Product Overview
12F-349S (CAS 303997-98-0), with molecular formula C19H14F5N3OS and molecular weight 427.08 g/mol. IUPAC: N-(2,4-difluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazole-4-carboxamide.
Chemical Property Profile of 12F-349S
Property Insights of 12F-349S
The XLogP value of 5.42902 indicates that 12F-349S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 12F-349S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12F-349S 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-349S?
The CAS number of 12F-349S is 303997-98-0.
What is the molecular formula of 12F-349S?
The molecular formula of 12F-349S is C19H14F5N3OS.
What is the molecular weight of 12F-349S?
The molecular weight of 12F-349S is 427.08 g/mol.
Where can I buy 12F-349S?
You can request a quote for 12F-349S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12F-349S?
Yes, KEHONG BIO provides custom synthesis services for 12F-349S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.