1N-317S
TL;DR: 1N-317S (CAS 955975-44-7) is a chemical compound with molecular formula C13H9F6N3O and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
Also Known As: 1N-317S, 1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide, 1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
| Molecular Formula | C13H9F6N3O |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 3.71 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.06497 |
| Heavy Atoms | 23 |
| Complexity | 732.04156 |
Chemical Identifiers
| CAS Number | 955975-44-7 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
1N-317S (CAS 955975-44-7), with molecular formula C13H9F6N3O and molecular weight 337.06 g/mol. IUPAC: 1-methyl-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
Chemical Property Profile of 1N-317S
Property Insights of 1N-317S
The XLogP value of 3.71 indicates that 1N-317S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 1N-317S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1N-317S 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 1N-317S?
The CAS number of 1N-317S is 955975-44-7.
What is the molecular formula of 1N-317S?
The molecular formula of 1N-317S is C13H9F6N3O.
What is the molecular weight of 1N-317S?
The molecular weight of 1N-317S is 337.06 g/mol.
Where can I buy 1N-317S?
You can request a quote for 1N-317S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1N-317S?
Yes, KEHONG BIO provides custom synthesis services for 1N-317S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.