RefChem:418559
TL;DR: RefChem:418559 (CAS 477329-71-8) is a chemical compound with molecular formula C19H19BrN4OS and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: 1-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one, 1-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one, 1-{[4-(4-BROMOPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-3,3-DIMETHYL-2-BUTANONE, 1-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-3,3-dimethyl-2-butanone, 1-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one
| Molecular Formula | C19H19BrN4OS |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 4.7991 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.0463 |
| Heavy Atoms | 26 |
| Complexity | 901.5386 |
Chemical Identifiers
| CAS Number | 477329-71-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3 |
Product Overview
RefChem:418559 (CAS 477329-71-8), with molecular formula C19H19BrN4OS and molecular weight 430.05 g/mol. IUPAC: 1-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of RefChem:418559
Property Insights of RefChem:418559
The XLogP value of 4.7991 indicates that RefChem:418559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:418559. Following Lipinski's Rule of Five, RefChem:418559 has 0 hydrogen bond donor(s) and 5 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:418559?
The CAS number of RefChem:418559 is 477329-71-8.
What is the molecular formula of RefChem:418559?
The molecular formula of RefChem:418559 is C19H19BrN4OS.
What is the molecular weight of RefChem:418559?
The molecular weight of RefChem:418559 is 430.05 g/mol.
Where can I buy RefChem:418559?
You can request a quote for RefChem:418559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:418559?
Yes, KEHONG BIO provides custom synthesis services for RefChem:418559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.