3J-915
TL;DR: 3J-915 (CAS 321571-05-5) is a chemical compound with molecular formula C22H11ClF4N4O and molecular weight 458.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole
Also Known As: 3J-915, 5-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-yl}-3-(4-fluorophenyl)-2,1-benzisoxazole, 5-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole, 5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-3-yl}-3-(4-fluorophenyl)-2,1-benzoxazole, 5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl}-3-(4-fluorophenyl)-2,1-benzoxazole
| Molecular Formula | C22H11ClF4N4O |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | 6.5538 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.05576 |
| Heavy Atoms | 32 |
| Complexity | 1440.8804 |
Chemical Identifiers
| CAS Number | 321571-05-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C4=NN(C=C4)C5=C(C=C(C=N5)C(F)(F)F)Cl)F |
Product Overview
3J-915 (CAS 321571-05-5), with molecular formula C22H11ClF4N4O and molecular weight 458.06 g/mol. IUPAC: 5-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-3-(4-fluorophenyl)-2,1-benzoxazole.
Chemical Property Profile of 3J-915
Property Insights of 3J-915
The XLogP value of 6.5538 indicates that 3J-915 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.74 Ų, 3J-915 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3J-915 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3J-915?
The CAS number of 3J-915 is 321571-05-5.
What is the molecular formula of 3J-915?
The molecular formula of 3J-915 is C22H11ClF4N4O.
What is the molecular weight of 3J-915?
The molecular weight of 3J-915 is 458.06 g/mol.
Where can I buy 3J-915?
You can request a quote for 3J-915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-915?
Yes, KEHONG BIO provides custom synthesis services for 3J-915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.