G856-1216
TL;DR: G856-1216 (CAS 536713-16-3) is a chemical compound with molecular formula C22H16ClN5O3S and molecular weight 465.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: G856-1216, 2-{[3-(3-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide, F0580-0791, 2-((3-(3-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C22H16ClN5O3S |
|---|---|
| Molecular Weight | 465.07 g/mol |
| LogP | 4.54762 |
| Topological Polar Surface Area | 105.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.06622 |
| Heavy Atoms | 32 |
| Complexity | 1537.9529 |
Chemical Identifiers
| CAS Number | 536713-16-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53 |
Product Overview
G856-1216 (CAS 536713-16-3), with molecular formula C22H16ClN5O3S and molecular weight 465.07 g/mol. IUPAC: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of G856-1216
Property Insights of G856-1216
The XLogP value of 4.54762 indicates that G856-1216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.81 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-1216. Following Lipinski's Rule of Five, G856-1216 has 2 hydrogen bond donor(s) and 6 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 G856-1216?
The CAS number of G856-1216 is 536713-16-3.
What is the molecular formula of G856-1216?
The molecular formula of G856-1216 is C22H16ClN5O3S.
What is the molecular weight of G856-1216?
The molecular weight of G856-1216 is 465.07 g/mol.
Where can I buy G856-1216?
You can request a quote for G856-1216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-1216?
Yes, KEHONG BIO provides custom synthesis services for G856-1216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.