![1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene structure](/static/products/849/849029-77-2.png)
1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene
TL;DR: 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene (CAS 849029-77-2) is a chemical compound with molecular formula C24H20ClN5O2S and molecular weight 477.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene, 2-(((5-((4-chlorophenoxy)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[5-(4-chlorophenoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole, 2-[({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-benzimidazole, 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C24H20ClN5O2S |
|---|---|
| Molecular Weight | 477.10 g/mol |
| LogP | 5.6769 |
| Topological Polar Surface Area | 77.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.10263 |
| Heavy Atoms | 33 |
| Complexity | 1333.1722 |
Chemical Identifiers
| CAS Number | 849029-77-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)COC5=CC=C(C=C5)Cl |
Product Overview
1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene (CAS 849029-77-2), with molecular formula C24H20ClN5O2S and molecular weight 477.10 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene
Property Insights of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene
The XLogP value of 5.6769 indicates that 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene. Following Lipinski's Rule of Five, 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene?
The CAS number of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene is 849029-77-2.
What is the molecular formula of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene?
The molecular formula of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene is C24H20ClN5O2S.
What is the molecular weight of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene?
The molecular weight of 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene is 477.10 g/mol.
Where can I buy 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene?
You can request a quote for 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-{[5-(benzimidazol-2-ylmethylthio)-4-(4-methoxyphenyl)(1,2,4-triazol-3-yl)]me thoxy}-4-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.