G856-0952
TL;DR: G856-0952 (CAS 536705-64-3) 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.
2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: G856-0952, F0580-0317, 2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide, 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
| Molecular Formula | C25H26N4O3S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 3.87114 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.17258 |
| Heavy Atoms | 33 |
| Complexity | 1382.0593 |
Chemical Identifiers
| CAS Number | 536705-64-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5CCCO5)C |
Product Overview
G856-0952 (CAS 536705-64-3), with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of G856-0952
Property Insights of G856-0952
The XLogP value of 3.87114 indicates that G856-0952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.01 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-0952. Following Lipinski's Rule of Five, G856-0952 has 2 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 G856-0952?
The CAS number of G856-0952 is 536705-64-3.
What is the molecular formula of G856-0952?
The molecular formula of G856-0952 is C25H26N4O3S.
What is the molecular weight of G856-0952?
The molecular weight of G856-0952 is 462.17 g/mol.
Where can I buy G856-0952?
You can request a quote for G856-0952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-0952?
Yes, KEHONG BIO provides custom synthesis services for G856-0952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.