![N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/4826/482660-74-2.webp)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 482660-74-2) is a chemical compound with molecular formula C22H24N6O2S2 and molecular weight 468.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methoxyanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methoxyanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H24N6O2S2 |
|---|---|
| Molecular Weight | 468.14 g/mol |
| LogP | 3.97858 |
| Topological Polar Surface Area | 104.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.14023 |
| Heavy Atoms | 32 |
| Complexity | 1146.6205 |
Chemical Identifiers
| CAS Number | 482660-74-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC4=CC=C(C=C4)OC |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 482660-74-2), with molecular formula C22H24N6O2S2 and molecular weight 468.14 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-[(4-methoxyanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 3.97858 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide has 2 hydrogen bond donor(s) and 8 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-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 482660-74-2.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C22H24N6O2S2.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 468.14 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-({5-[(4-methoxyanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.