G856-0821
TL;DR: G856-0821 (CAS 537668-71-6) is a chemical compound with molecular formula C21H16N6O2S2 and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: G856-0821, F0580-0106, N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C21H16N6O2S2 |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 3.75772 |
| Topological Polar Surface Area | 105.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.0776 |
| Heavy Atoms | 31 |
| Complexity | 1472.0892 |
Chemical Identifiers
| CAS Number | 537668-71-6 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 |
Product Overview
G856-0821 (CAS 537668-71-6), with molecular formula C21H16N6O2S2 and molecular weight 448.08 g/mol. IUPAC: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of G856-0821
Property Insights of G856-0821
The XLogP value of 3.75772 indicates that G856-0821 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 G856-0821. Following Lipinski's Rule of Five, G856-0821 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 G856-0821?
The CAS number of G856-0821 is 537668-71-6.
What is the molecular formula of G856-0821?
The molecular formula of G856-0821 is C21H16N6O2S2.
What is the molecular weight of G856-0821?
The molecular weight of G856-0821 is 448.08 g/mol.
Where can I buy G856-0821?
You can request a quote for G856-0821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-0821?
Yes, KEHONG BIO provides custom synthesis services for G856-0821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.