ChemDiv1_024953
TL;DR: ChemDiv1_024953 (CAS 431909-99-8) is a chemical compound with molecular formula C26H18N4O2S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(5-methylfuran-2-yl)phenyl]-2-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)acetamide
Also Known As: ChemDiv1_024953, AB00118377-01, AM-760/40805216, 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N-[2-(5-methylfuran-2-yl)phenyl]acetamide, 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N-[2-(5-methyl-2-furyl)phenyl]acetamide
| Molecular Formula | C26H18N4O2S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 5.97142 |
| Topological Polar Surface Area | 80.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.11505 |
| Heavy Atoms | 33 |
| Complexity | 1537.668 |
Chemical Identifiers
| CAS Number | 431909-99-8 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CC=CC=C2NC(=O)CSC3=NC4=C(C5=CC=CC6=C5C4=CC=C6)N=N3 |
Product Overview
ChemDiv1_024953 (CAS 431909-99-8), with molecular formula C26H18N4O2S and molecular weight 450.12 g/mol. IUPAC: N-[2-(5-methylfuran-2-yl)phenyl]-2-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)acetamide.
Chemical Property Profile of ChemDiv1_024953
Property Insights of ChemDiv1_024953
The XLogP value of 5.97142 indicates that ChemDiv1_024953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024953. Following Lipinski's Rule of Five, ChemDiv1_024953 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024953?
The CAS number of ChemDiv1_024953 is 431909-99-8.
What is the molecular formula of ChemDiv1_024953?
The molecular formula of ChemDiv1_024953 is C26H18N4O2S.
What is the molecular weight of ChemDiv1_024953?
The molecular weight of ChemDiv1_024953 is 450.12 g/mol.
Where can I buy ChemDiv1_024953?
You can request a quote for ChemDiv1_024953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024953?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.