RefChem:819937
TL;DR: RefChem:819937 (CAS 303103-16-4) is a chemical compound with molecular formula C31H22BrN5OS and molecular weight 591.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-anthracen-9-ylmethylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-9-ANTHRYLMETHYLIDENE]-2-{[5-(4-BROMOPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDE, 652-234-3, N'-((E)-9-ANTHRYLMETHYLIDENE)-2-((5-(4-BROMOPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETOHYDRAZIDE, RefChem:819937
| Molecular Formula | C31H22BrN5OS |
|---|---|
| Molecular Weight | 591.07 g/mol |
| LogP | 7.2456 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 591.0728 |
| Heavy Atoms | 39 |
| Complexity | 1762.8772 |
Chemical Identifiers
| CAS Number | 303103-16-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=C(C=C6)Br |
Product Overview
RefChem:819937 (CAS 303103-16-4), with molecular formula C31H22BrN5OS and molecular weight 591.07 g/mol. IUPAC: N-[(E)-anthracen-9-ylmethylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of RefChem:819937
Property Insights of RefChem:819937
The XLogP value of 7.2456 indicates that RefChem:819937 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:819937. Following Lipinski's Rule of Five, RefChem:819937 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:819937?
The CAS number of RefChem:819937 is 303103-16-4.
What is the molecular formula of RefChem:819937?
The molecular formula of RefChem:819937 is C31H22BrN5OS.
What is the molecular weight of RefChem:819937?
The molecular weight of RefChem:819937 is 591.07 g/mol.
Where can I buy RefChem:819937?
You can request a quote for RefChem:819937 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:819937?
Yes, KEHONG BIO provides custom synthesis services for RefChem:819937 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.