RefChem:419302
TL;DR: RefChem:419302 (CAS 618432-36-3) is a chemical compound with molecular formula C22H15BrN4O3S and molecular weight 494.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: SALOR-INT L417173-1EA, 1-(1,3-benzodioxol-5-yl)-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(1,3-Benzodioxol-5-YL)-2-((4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)ethanone, 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C22H15BrN4O3S |
|---|---|
| Molecular Weight | 494.00 g/mol |
| LogP | 4.7955 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.00482 |
| Heavy Atoms | 31 |
| Complexity | 1245.613 |
Chemical Identifiers
| CAS Number | 618432-36-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5 |
Product Overview
RefChem:419302 (CAS 618432-36-3), with molecular formula C22H15BrN4O3S and molecular weight 494.00 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of RefChem:419302
Property Insights of RefChem:419302
The XLogP value of 4.7955 indicates that RefChem:419302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:419302. Following Lipinski's Rule of Five, RefChem:419302 has 0 hydrogen bond donor(s) and 7 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 RefChem:419302?
The CAS number of RefChem:419302 is 618432-36-3.
What is the molecular formula of RefChem:419302?
The molecular formula of RefChem:419302 is C22H15BrN4O3S.
What is the molecular weight of RefChem:419302?
The molecular weight of RefChem:419302 is 494.00 g/mol.
Where can I buy RefChem:419302?
You can request a quote for RefChem:419302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:419302?
Yes, KEHONG BIO provides custom synthesis services for RefChem:419302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.