RefChem:823334
TL;DR: RefChem:823334 (CAS 477331-28-5) is a chemical compound with molecular formula C22H16BrN5O3S and molecular weight 509.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(1,3-benzodioxol-5-yl)-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 650-456-5, N-(1,3-Benzodioxol-5-YL)-2-((4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
| Molecular Formula | C22H16BrN5O3S |
|---|---|
| Molecular Weight | 509.02 g/mol |
| LogP | 4.5513 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.01572 |
| Heavy Atoms | 32 |
| Complexity | 1264.5637 |
Chemical Identifiers
| CAS Number | 477331-28-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5 |
Product Overview
RefChem:823334 (CAS 477331-28-5), with molecular formula C22H16BrN5O3S and molecular weight 509.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:823334
Property Insights of RefChem:823334
The XLogP value of 4.5513 indicates that RefChem:823334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:823334. Following Lipinski's Rule of Five, RefChem:823334 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:823334?
The CAS number of RefChem:823334 is 477331-28-5.
What is the molecular formula of RefChem:823334?
The molecular formula of RefChem:823334 is C22H16BrN5O3S.
What is the molecular weight of RefChem:823334?
The molecular weight of RefChem:823334 is 509.02 g/mol.
Where can I buy RefChem:823334?
You can request a quote for RefChem:823334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:823334?
Yes, KEHONG BIO provides custom synthesis services for RefChem:823334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.