12F-399S
TL;DR: 12F-399S (CAS 303998-52-9) is a chemical compound with molecular formula C18H10Cl2F5N3OS and molecular weight 480.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dichlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 12F-399S, 5-[(3,4-dichlorophenyl)sulfanyl]-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 5-(3,4-dichlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide, 5-[(3,4-dichlorophenyl)sulfanyl]-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
| Molecular Formula | C18H10Cl2F5N3OS |
|---|---|
| Molecular Weight | 480.98 g/mol |
| LogP | 6.4274 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.9842 |
| Heavy Atoms | 30 |
| Complexity | 1133.7401 |
Chemical Identifiers
| CAS Number | 303998-52-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=O)NC2=C(C=C(C=C2)F)F)SC3=CC(=C(C=C3)Cl)Cl |
Product Overview
12F-399S (CAS 303998-52-9), with molecular formula C18H10Cl2F5N3OS and molecular weight 480.98 g/mol. IUPAC: 5-(3,4-dichlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 12F-399S
Property Insights of 12F-399S
The XLogP value of 6.4274 indicates that 12F-399S 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-399S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12F-399S 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-399S?
The CAS number of 12F-399S is 303998-52-9.
What is the molecular formula of 12F-399S?
The molecular formula of 12F-399S is C18H10Cl2F5N3OS.
What is the molecular weight of 12F-399S?
The molecular weight of 12F-399S is 480.98 g/mol.
Where can I buy 12F-399S?
You can request a quote for 12F-399S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12F-399S?
Yes, KEHONG BIO provides custom synthesis services for 12F-399S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.