![N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide structure](/static/products/2619/261966-45-4.webp)
N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide
TL;DR: N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide (CAS 261966-45-4) is a chemical compound with molecular formula C17H19ClF3N5O3S and molecular weight 465.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-chloroacetyl)-2-[[4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Also Known As: N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide, N'-(2-chloroacetyl)-2-[[4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide, N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thi, 2-chloro-N'-(2-{[4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl}acetyl)acetohydrazide
| Molecular Formula | C17H19ClF3N5O3S |
|---|---|
| Molecular Weight | 465.08 g/mol |
| LogP | 2.4787 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.08493 |
| Heavy Atoms | 30 |
| Complexity | 861.3139 |
Chemical Identifiers
| CAS Number | 261966-45-4 |
|---|---|
| SMILES | COCCCN1C(=NN=C1SCC(=O)NNC(=O)CCl)C2=CC=C(C=C2)C(F)(F)F |
Product Overview
N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide (CAS 261966-45-4), with molecular formula C17H19ClF3N5O3S and molecular weight 465.08 g/mol. IUPAC: N'-(2-chloroacetyl)-2-[[4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide.
Chemical Property Profile of N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide
Property Insights of N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide
The XLogP value of 2.4787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide. Following Lipinski's Rule of Five, N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide 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 N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide?
The CAS number of N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide is 261966-45-4.
What is the molecular formula of N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide?
The molecular formula of N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide is C17H19ClF3N5O3S.
What is the molecular weight of N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide?
The molecular weight of N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide is 465.08 g/mol.
Where can I buy N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide?
You can request a quote for N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'1-(2-chloroacetyl)-2-({4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)ethanohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.