![3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole structure](/static/products/6205/620572-07-8.webp)
3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
TL;DR: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole (CAS 620572-07-8) is a chemical compound with molecular formula C21H18ClN3OS2 and molecular weight 427.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
Also Known As: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole, F1439-0060, 3-(3-chloro-6-methoxy-benzothiophen-2-yl)-5-cinnamylsulfanyl-4-methyl-1,2,4-triazole, 3-(3-chloro-6-methoxybenzo[b]thiophen-2-yl)-5-(cinnamylthio)-4-methyl-4H-1,2,4-triazole, 2-[5-((2E)-3-phenylprop-2-enylthio)-4-methyl(1,2,4-triazol-3-yl)]-3-chloro-6-m ethoxybenzo[b]thiophene
| Molecular Formula | C21H18ClN3OS2 |
|---|---|
| Molecular Weight | 427.06 g/mol |
| LogP | 6.1643 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.05798 |
| Heavy Atoms | 28 |
| Complexity | 1135.4769 |
Chemical Identifiers
| CAS Number | 620572-07-8 |
|---|---|
| SMILES | CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=C(C4=C(S3)C=C(C=C4)OC)Cl |
Product Overview
3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole (CAS 620572-07-8), with molecular formula C21H18ClN3OS2 and molecular weight 427.06 g/mol. IUPAC: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole.
Chemical Property Profile of 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Property Insights of 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
The XLogP value of 6.1643 indicates that 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
The CAS number of 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole is 620572-07-8.
What is the molecular formula of 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
The molecular formula of 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole is C21H18ClN3OS2.
What is the molecular weight of 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
The molecular weight of 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole is 427.06 g/mol.
Where can I buy 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
You can request a quote for 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.