N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 896835-63-5) is a chemical compound with molecular formula C21H19ClN4O2S2 and molecular weight 458.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-chloro-2-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-chloro-2-methylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, REGID_for_CID_666527
| Molecular Formula | C21H19ClN4O2S2 |
|---|---|
| Molecular Weight | 458.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.06378 |
| Heavy Atoms | 30 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 896835-63-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)CC4=CC=CS4 |
| InChIKey | WNPMTWMCWMULGH-UHFFFAOYSA-N |
Product Overview
N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 896835-63-5), with molecular formula C21H19ClN4O2S2 and molecular weight 458.06 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 4.5 indicates that N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide has 1 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-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 896835-63-5.
What is the molecular formula of N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C21H19ClN4O2S2.
What is the molecular weight of N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 458.06 g/mol.
Where can I buy N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2-methylphenyl)-2-((4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.