G856-1047
TL;DR: G856-1047 (CAS 536707-48-9) is a chemical compound with molecular formula C26H20N4O5S and molecular weight 500.12 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-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: G856-1047, F0580-0501, N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
| Molecular Formula | C26H20N4O5S |
|---|---|
| Molecular Weight | 500.12 g/mol |
| LogP | 4.3351 |
| Topological Polar Surface Area | 107.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.11545 |
| Heavy Atoms | 36 |
| Complexity | 1676.4667 |
Chemical Identifiers
| CAS Number | 536707-48-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC6=C(C=C5)OCO6 |
Product Overview
G856-1047 (CAS 536707-48-9), with molecular formula C26H20N4O5S and molecular weight 500.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of G856-1047
Property Insights of G856-1047
The XLogP value of 4.3351 indicates that G856-1047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.47 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-1047. Following Lipinski's Rule of Five, G856-1047 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of G856-1047?
The CAS number of G856-1047 is 536707-48-9.
What is the molecular formula of G856-1047?
The molecular formula of G856-1047 is C26H20N4O5S.
What is the molecular weight of G856-1047?
The molecular weight of G856-1047 is 500.12 g/mol.
Where can I buy G856-1047?
You can request a quote for G856-1047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-1047?
Yes, KEHONG BIO provides custom synthesis services for G856-1047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.