![N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide structure](/static/products/6932/693241-25-7.webp)
N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide
TL;DR: N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide (CAS 693241-25-7) is a chemical compound with molecular formula C21H23BrN4O2S and molecular weight 474.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanamide
Also Known As: N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide, N-(4-bromophenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanamide
| Molecular Formula | C21H23BrN4O2S |
|---|---|
| Molecular Weight | 474.07 g/mol |
| LogP | 4.97442 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.0725 |
| Heavy Atoms | 29 |
| Complexity | 975.0674 |
Chemical Identifiers
| CAS Number | 693241-25-7 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)COC3=CC=CC=C3C |
Product Overview
N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide (CAS 693241-25-7), with molecular formula C21H23BrN4O2S and molecular weight 474.07 g/mol. IUPAC: N-(4-bromophenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanamide.
Chemical Property Profile of N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide
Property Insights of N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide
The XLogP value of 4.97442 indicates that N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide. Following Lipinski's Rule of Five, N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide has 1 hydrogen bond donor(s) and 5 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-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide?
The CAS number of N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide is 693241-25-7.
What is the molecular formula of N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide?
The molecular formula of N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide is C21H23BrN4O2S.
What is the molecular weight of N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide?
The molecular weight of N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide is 474.07 g/mol.
Where can I buy N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide?
You can request a quote for N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.