G856-0990
TL;DR: G856-0990 (CAS 536706-35-1) is a chemical compound with molecular formula C22H18N6O3S2 and molecular weight 478.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: G856-0990, 2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide, F0580-0388, 2-((3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C22H18N6O3S2 |
|---|---|
| Molecular Weight | 478.09 g/mol |
| LogP | 3.76632 |
| Topological Polar Surface Area | 114.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.0882 |
| Heavy Atoms | 33 |
| Complexity | 1555.1254 |
Chemical Identifiers
| CAS Number | 536706-35-1 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53 |
Product Overview
G856-0990 (CAS 536706-35-1), with molecular formula C22H18N6O3S2 and molecular weight 478.09 g/mol. IUPAC: 2-[[3-(3-methoxyphenyl)-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 G856-0990
Property Insights of G856-0990
The XLogP value of 3.76632 indicates that G856-0990 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.79 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-0990. Following Lipinski's Rule of Five, G856-0990 has 2 hydrogen bond donor(s) and 8 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 G856-0990?
The CAS number of G856-0990 is 536706-35-1.
What is the molecular formula of G856-0990?
The molecular formula of G856-0990 is C22H18N6O3S2.
What is the molecular weight of G856-0990?
The molecular weight of G856-0990 is 478.09 g/mol.
Where can I buy G856-0990?
You can request a quote for G856-0990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-0990?
Yes, KEHONG BIO provides custom synthesis services for G856-0990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.