3F-397S
TL;DR: 3F-397S (CAS 321553-52-0) is a chemical compound with molecular formula C14H10ClF3N4O and molecular weight 342.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
Also Known As: 3F-397S, 5-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole, 5-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
| Molecular Formula | C14H10ClF3N4O |
|---|---|
| Molecular Weight | 342.05 g/mol |
| LogP | 4.11772 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.04953 |
| Heavy Atoms | 23 |
| Complexity | 852.02734 |
Chemical Identifiers
| CAS Number | 321553-52-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(N(N=C3C(F)(F)F)C)Cl |
Product Overview
3F-397S (CAS 321553-52-0), with molecular formula C14H10ClF3N4O and molecular weight 342.05 g/mol. IUPAC: 5-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3F-397S
Property Insights of 3F-397S
The XLogP value of 4.11772 indicates that 3F-397S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.74 Ų, 3F-397S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3F-397S has 0 hydrogen bond donor(s) and 4 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 3F-397S?
The CAS number of 3F-397S is 321553-52-0.
What is the molecular formula of 3F-397S?
The molecular formula of 3F-397S is C14H10ClF3N4O.
What is the molecular weight of 3F-397S?
The molecular weight of 3F-397S is 342.05 g/mol.
Where can I buy 3F-397S?
You can request a quote for 3F-397S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3F-397S?
Yes, KEHONG BIO provides custom synthesis services for 3F-397S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.