4H-016
TL;DR: 4H-016 (CAS 338420-82-9) is a chemical compound with molecular formula C17H14ClF3N4O2S and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(benzenesulfonyl)-3-(1H-1,2,4-triazol-5-yl)propyl]-3-chloro-5-(trifluoromethyl)pyridine
Also Known As: 4H-016, 3-chloro-2-[1-(phenylsulfonyl)-3-(1H-1,2,4-triazol-3-yl)propyl]-5-(trifluoromethyl)pyridine, 2-[1-(benzenesulfonyl)-3-(1H-1,2,4-triazol-3-yl)propyl]-3-chloro-5-(trifluoromethyl)pyridine, 2-[1-(benzenesulfonyl)-3-(1H-1,2,4-triazol-5-yl)propyl]-3-chloro-5-(trifluoromethyl)pyridine, 2-[1-(benzenesulfonyl)-3-(4H-1,2,4-triazol-3-yl)propyl]-3-chloro-5-(trifluoromethyl)pyridine
| Molecular Formula | C17H14ClF3N4O2S |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 4.0197 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.04782 |
| Heavy Atoms | 28 |
| Complexity | 1042.0194 |
Chemical Identifiers
| CAS Number | 338420-82-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(CCC2=NC=NN2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4H-016 (CAS 338420-82-9), with molecular formula C17H14ClF3N4O2S and molecular weight 430.05 g/mol. IUPAC: 2-[1-(benzenesulfonyl)-3-(1H-1,2,4-triazol-5-yl)propyl]-3-chloro-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 4H-016
Property Insights of 4H-016
The XLogP value of 4.0197 indicates that 4H-016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-016. Following Lipinski's Rule of Five, 4H-016 has 1 hydrogen bond donor(s) and 5 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-016?
The CAS number of 4H-016 is 338420-82-9.
What is the molecular formula of 4H-016?
The molecular formula of 4H-016 is C17H14ClF3N4O2S.
What is the molecular weight of 4H-016?
The molecular weight of 4H-016 is 430.05 g/mol.
Where can I buy 4H-016?
You can request a quote for 4H-016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-016?
Yes, KEHONG BIO provides custom synthesis services for 4H-016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.