RefChem:448881
TL;DR: RefChem:448881 (CAS 538337-14-3) is a chemical compound with molecular formula C26H25BrN4O2S and molecular weight 536.09 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-(2,3-dimethylphenyl)acetamide
Also Known As: 2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide, 2-((4-Benzyl-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dimethylphenyl)acetamide, 2-((4-BENZYL-5-((4-BROMOPHENOXY)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2,3-DIMETHYLPHENYL)ACETAMIDE, 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide, 644-834-9
| Molecular Formula | C26H25BrN4O2S |
|---|---|
| Molecular Weight | 536.09 g/mol |
| LogP | 6.01554 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.08813 |
| Heavy Atoms | 34 |
| Complexity | 1259.7981 |
Chemical Identifiers
| CAS Number | 538337-14-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)COC4=CC=C(C=C4)Br)C |
Product Overview
RefChem:448881 (CAS 538337-14-3), with molecular formula C26H25BrN4O2S and molecular weight 536.09 g/mol. IUPAC: 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
Chemical Property Profile of RefChem:448881
Property Insights of RefChem:448881
The XLogP value of 6.01554 indicates that RefChem:448881 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 RefChem:448881. Following Lipinski's Rule of Five, RefChem:448881 has 1 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 RefChem:448881?
The CAS number of RefChem:448881 is 538337-14-3.
What is the molecular formula of RefChem:448881?
The molecular formula of RefChem:448881 is C26H25BrN4O2S.
What is the molecular weight of RefChem:448881?
The molecular weight of RefChem:448881 is 536.09 g/mol.
Where can I buy RefChem:448881?
You can request a quote for RefChem:448881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448881?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.