RefChem:448887
TL;DR: RefChem:448887 (CAS 538337-09-6) is a chemical compound with molecular formula C26H24BrN5O5S and molecular weight 597.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide
Also Known As: 2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxy-2-nitrophenyl)acetamide, 2-((4-Benzyl-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxy-2-nitrophenyl)acetamide, 2-((4-Benzyl-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-ethoxy-2-nitrophenyl)acetamide, 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide, 2-{5-[(4-bromophenoxy)methyl]-4-benzyl(1,2,4-triazol-3-ylthio)}-N-(4-ethoxy-2- nitrophenyl)acetamide
| Molecular Formula | C26H24BrN5O5S |
|---|---|
| Molecular Weight | 597.07 g/mol |
| LogP | 5.7056 |
| Topological Polar Surface Area | 121.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 597.0682 |
| Heavy Atoms | 38 |
| Complexity | 1399.1716 |
Chemical Identifiers
| CAS Number | 538337-09-6 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)COC4=CC=C(C=C4)Br)[N+](=O)[O-] |
Product Overview
RefChem:448887 (CAS 538337-09-6), with molecular formula C26H24BrN5O5S and molecular weight 597.07 g/mol. IUPAC: 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide.
Chemical Property Profile of RefChem:448887
Property Insights of RefChem:448887
The XLogP value of 5.7056 indicates that RefChem:448887 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.41 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448887. Following Lipinski's Rule of Five, RefChem:448887 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448887?
The CAS number of RefChem:448887 is 538337-09-6.
What is the molecular formula of RefChem:448887?
The molecular formula of RefChem:448887 is C26H24BrN5O5S.
What is the molecular weight of RefChem:448887?
The molecular weight of RefChem:448887 is 597.07 g/mol.
Where can I buy RefChem:448887?
You can request a quote for RefChem:448887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448887?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.