G856-1195
TL;DR: G856-1195 (CAS 536712-41-1) is a chemical compound with molecular formula C22H19ClN4O2S and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: G856-1195, 3-(3-chlorophenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0753, 3-(3-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-(3-chlorophenyl)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C22H19ClN4O2S |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 4.2349 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.09174 |
| Heavy Atoms | 30 |
| Complexity | 1323.9646 |
Chemical Identifiers
| CAS Number | 536712-41-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53 |
Product Overview
G856-1195 (CAS 536712-41-1), with molecular formula C22H19ClN4O2S and molecular weight 438.09 g/mol. IUPAC: 3-(3-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of G856-1195
Property Insights of G856-1195
The XLogP value of 4.2349 indicates that G856-1195 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-1195. Following Lipinski's Rule of Five, G856-1195 has 1 hydrogen bond donor(s) and 4 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 G856-1195?
The CAS number of G856-1195 is 536712-41-1.
What is the molecular formula of G856-1195?
The molecular formula of G856-1195 is C22H19ClN4O2S.
What is the molecular weight of G856-1195?
The molecular weight of G856-1195 is 438.09 g/mol.
Where can I buy G856-1195?
You can request a quote for G856-1195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-1195?
Yes, KEHONG BIO provides custom synthesis services for G856-1195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.