G856-1084
TL;DR: G856-1084 (CAS 536708-13-1) is a chemical compound with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: G856-1084, 3-(4-ethoxyphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0566, 3-(4-ethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-(4-ethoxyphenyl)-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C25H26N4O3S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 4.3703 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.17258 |
| Heavy Atoms | 33 |
| Complexity | 1354.0979 |
Chemical Identifiers
| CAS Number | 536708-13-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCC5 |
Product Overview
G856-1084 (CAS 536708-13-1), with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol. IUPAC: 3-(4-ethoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of G856-1084
Property Insights of G856-1084
The XLogP value of 4.3703 indicates that G856-1084 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.22 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-1084. Following Lipinski's Rule of Five, G856-1084 has 1 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 G856-1084?
The CAS number of G856-1084 is 536708-13-1.
What is the molecular formula of G856-1084?
The molecular formula of G856-1084 is C25H26N4O3S.
What is the molecular weight of G856-1084?
The molecular weight of G856-1084 is 462.17 g/mol.
Where can I buy G856-1084?
You can request a quote for G856-1084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-1084?
Yes, KEHONG BIO provides custom synthesis services for G856-1084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.