G856-0894
TL;DR: G856-0894 (CAS 536704-66-2) is a chemical compound with molecular formula C26H20N4O4S and molecular weight 484.12 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-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: G856-0894, F0580-0219, N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((4-oxo-3-(p-tolyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C26H20N4O4S |
|---|---|
| Molecular Weight | 484.12 g/mol |
| LogP | 4.63492 |
| Topological Polar Surface Area | 98.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.1205 |
| Heavy Atoms | 35 |
| Complexity | 1656.6698 |
Chemical Identifiers
| CAS Number | 536704-66-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC6=C(C=C5)OCO6 |
Product Overview
G856-0894 (CAS 536704-66-2), with molecular formula C26H20N4O4S and molecular weight 484.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of G856-0894
Property Insights of G856-0894
The XLogP value of 4.63492 indicates that G856-0894 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.24 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-0894. Following Lipinski's Rule of Five, G856-0894 has 2 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 G856-0894?
The CAS number of G856-0894 is 536704-66-2.
What is the molecular formula of G856-0894?
The molecular formula of G856-0894 is C26H20N4O4S.
What is the molecular weight of G856-0894?
The molecular weight of G856-0894 is 484.12 g/mol.
Where can I buy G856-0894?
You can request a quote for G856-0894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-0894?
Yes, KEHONG BIO provides custom synthesis services for G856-0894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.