RefChem:826962
TL;DR: RefChem:826962 (CAS 477329-00-3) is a chemical compound with molecular formula C23H19BrN6O2S and molecular weight 522.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[4-(acetylamino)phenyl]-2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-Acetamidophenyl)-2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[4-(acetylamino)phenyl]-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 647-173-4, N-(4-(ACETYLAMINO)PHENYL)-2-((4-(4-BROMOPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE
| Molecular Formula | C23H19BrN6O2S |
|---|---|
| Molecular Weight | 522.05 g/mol |
| LogP | 4.781 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.04736 |
| Heavy Atoms | 33 |
| Complexity | 1260.6234 |
Chemical Identifiers
| CAS Number | 477329-00-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4 |
Product Overview
RefChem:826962 (CAS 477329-00-3), with molecular formula C23H19BrN6O2S and molecular weight 522.05 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:826962
Property Insights of RefChem:826962
The XLogP value of 4.781 indicates that RefChem:826962 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:826962. Following Lipinski's Rule of Five, RefChem:826962 has 2 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 RefChem:826962?
The CAS number of RefChem:826962 is 477329-00-3.
What is the molecular formula of RefChem:826962?
The molecular formula of RefChem:826962 is C23H19BrN6O2S.
What is the molecular weight of RefChem:826962?
The molecular weight of RefChem:826962 is 522.05 g/mol.
Where can I buy RefChem:826962?
You can request a quote for RefChem:826962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:826962?
Yes, KEHONG BIO provides custom synthesis services for RefChem:826962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.