12J-901
TL;DR: 12J-901 (CAS 306979-30-6) is a chemical compound with molecular formula C13H9ClF5N3O and molecular weight 353.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[chloro(difluoro)methyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
Also Known As: 12J-901, 5-(Chloro(difluoro)methyl)-3-methyl-N-(3-(trifluoromethyl)phenyl)-1H-pyrazole-1-carboxamide, 5-[chloro(difluoro)methyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide, 5-(chlorodifluoromethyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-1-carboxamide, 5-[chloro(difluoro)methyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-1-carboxamide
| Molecular Formula | C13H9ClF5N3O |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 4.57862 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.03543 |
| Heavy Atoms | 23 |
| Complexity | 735.9417 |
Chemical Identifiers
| CAS Number | 306979-30-6 |
|---|---|
| SMILES | CC1=NN(C(=C1)C(F)(F)Cl)C(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
12J-901 (CAS 306979-30-6), with molecular formula C13H9ClF5N3O and molecular weight 353.04 g/mol. IUPAC: 5-[chloro(difluoro)methyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-1-carboxamide.
Chemical Property Profile of 12J-901
Property Insights of 12J-901
The XLogP value of 4.57862 indicates that 12J-901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 12J-901 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12J-901 has 1 hydrogen bond donor(s) and 2 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 12J-901?
The CAS number of 12J-901 is 306979-30-6.
What is the molecular formula of 12J-901?
The molecular formula of 12J-901 is C13H9ClF5N3O.
What is the molecular weight of 12J-901?
The molecular weight of 12J-901 is 353.04 g/mol.
Where can I buy 12J-901?
You can request a quote for 12J-901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12J-901?
Yes, KEHONG BIO provides custom synthesis services for 12J-901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.