4H-921
TL;DR: 4H-921 (CAS 400082-28-2) is a chemical compound with molecular formula C13H12ClF3N6OS and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 4H-921, 3-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-4-methyl-4H-1,2,4-triazole-3-thiol, 5-[5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-methyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C13H12ClF3N6OS |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 3.14999 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.0434 |
| Heavy Atoms | 25 |
| Complexity | 877.37976 |
Chemical Identifiers
| CAS Number | 400082-28-2 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=NOC(C2)CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4H-921 (CAS 400082-28-2), with molecular formula C13H12ClF3N6OS and molecular weight 392.04 g/mol. IUPAC: 3-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4H-921
Property Insights of 4H-921
The XLogP value of 3.14999 indicates that 4H-921 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-921. Following Lipinski's Rule of Five, 4H-921 has 2 hydrogen bond donor(s) and 6 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 4H-921?
The CAS number of 4H-921 is 400082-28-2.
What is the molecular formula of 4H-921?
The molecular formula of 4H-921 is C13H12ClF3N6OS.
What is the molecular weight of 4H-921?
The molecular weight of 4H-921 is 392.04 g/mol.
Where can I buy 4H-921?
You can request a quote for 4H-921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-921?
Yes, KEHONG BIO provides custom synthesis services for 4H-921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.