G856-0844
TL;DR: G856-0844 (CAS 536703-90-9) is a chemical compound with molecular formula C25H19FN4O2S and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: G856-0844, F0580-0144, N-[(4-fluorophenyl)methyl]-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-[(4-fluorophenyl)methyl]-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide, N-(4-fluorobenzyl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide
| Molecular Formula | C25H19FN4O2S |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 4.4146 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.12128 |
| Heavy Atoms | 33 |
| Complexity | 1511.3236 |
Chemical Identifiers
| CAS Number | 536703-90-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5=CC=C(C=C5)F |
Product Overview
G856-0844 (CAS 536703-90-9), with molecular formula C25H19FN4O2S and molecular weight 458.12 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of G856-0844
Property Insights of G856-0844
The XLogP value of 4.4146 indicates that G856-0844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-0844. Following Lipinski's Rule of Five, G856-0844 has 2 hydrogen bond donor(s) and 4 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 G856-0844?
The CAS number of G856-0844 is 536703-90-9.
What is the molecular formula of G856-0844?
The molecular formula of G856-0844 is C25H19FN4O2S.
What is the molecular weight of G856-0844?
The molecular weight of G856-0844 is 458.12 g/mol.
Where can I buy G856-0844?
You can request a quote for G856-0844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-0844?
Yes, KEHONG BIO provides custom synthesis services for G856-0844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.