G856-1085
TL;DR: G856-1085 (CAS 536708-14-2) is a chemical compound with molecular formula C26H28N4O3S and molecular weight 476.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: G856-1085, 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0567, 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-(4-ethoxyphenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C26H28N4O3S |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 4.7604 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.1882 |
| Heavy Atoms | 34 |
| Complexity | 1368.8363 |
Chemical Identifiers
| CAS Number | 536708-14-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCCC5 |
Product Overview
G856-1085 (CAS 536708-14-2), with molecular formula C26H28N4O3S and molecular weight 476.19 g/mol. IUPAC: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of G856-1085
Property Insights of G856-1085
The XLogP value of 4.7604 indicates that G856-1085 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 G856-1085. Following Lipinski's Rule of Five, G856-1085 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 G856-1085?
The CAS number of G856-1085 is 536708-14-2.
What is the molecular formula of G856-1085?
The molecular formula of G856-1085 is C26H28N4O3S.
What is the molecular weight of G856-1085?
The molecular weight of G856-1085 is 476.19 g/mol.
Where can I buy G856-1085?
You can request a quote for G856-1085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-1085?
Yes, KEHONG BIO provides custom synthesis services for G856-1085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.