G856-1244
TL;DR: G856-1244 (CAS 536714-50-8) is a chemical compound with molecular formula C21H15ClN6O2S2 and molecular weight 482.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: G856-1244, 2-((3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, F0580-0858, 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C21H15ClN6O2S2 |
|---|---|
| Molecular Weight | 482.04 g/mol |
| LogP | 4.41112 |
| Topological Polar Surface Area | 105.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.03864 |
| Heavy Atoms | 32 |
| Complexity | 1523.4265 |
Chemical Identifiers
| CAS Number | 536714-50-8 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)NC5=CC=CC=C53 |
Product Overview
G856-1244 (CAS 536714-50-8), with molecular formula C21H15ClN6O2S2 and molecular weight 482.04 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of G856-1244
Property Insights of G856-1244
The XLogP value of 4.41112 indicates that G856-1244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.56 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-1244. Following Lipinski's Rule of Five, G856-1244 has 2 hydrogen bond donor(s) and 7 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 G856-1244?
The CAS number of G856-1244 is 536714-50-8.
What is the molecular formula of G856-1244?
The molecular formula of G856-1244 is C21H15ClN6O2S2.
What is the molecular weight of G856-1244?
The molecular weight of G856-1244 is 482.04 g/mol.
Where can I buy G856-1244?
You can request a quote for G856-1244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-1244?
Yes, KEHONG BIO provides custom synthesis services for G856-1244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.