ChemDiv1_009768
TL;DR: ChemDiv1_009768 (CAS 380565-95-7) is a chemical compound with molecular formula C20H15BrN4O2S and molecular weight 454.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: ChemDiv1_009768, AE-848/15341424, 1-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-bromophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-bromophenyl)-2-((4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
| Molecular Formula | C20H15BrN4O2S |
|---|---|
| Molecular Weight | 454.01 g/mol |
| LogP | 4.7189 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.00992 |
| Heavy Atoms | 28 |
| Complexity | 1063.5559 |
Chemical Identifiers
| CAS Number | 380565-95-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_009768 (CAS 380565-95-7), with molecular formula C20H15BrN4O2S and molecular weight 454.01 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of ChemDiv1_009768
Property Insights of ChemDiv1_009768
The XLogP value of 4.7189 indicates that ChemDiv1_009768 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009768. Following Lipinski's Rule of Five, ChemDiv1_009768 has 0 hydrogen bond donor(s) and 6 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 ChemDiv1_009768?
The CAS number of ChemDiv1_009768 is 380565-95-7.
What is the molecular formula of ChemDiv1_009768?
The molecular formula of ChemDiv1_009768 is C20H15BrN4O2S.
What is the molecular weight of ChemDiv1_009768?
The molecular weight of ChemDiv1_009768 is 454.01 g/mol.
Where can I buy ChemDiv1_009768?
You can request a quote for ChemDiv1_009768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009768?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.