G856-0996
TL;DR: G856-0996 (CAS 536706-45-3) is a chemical compound with molecular formula C26H22N4O3S and molecular weight 470.14 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-(3-methylphenyl)acetamide
Also Known As: G856-0996, 2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide, F0580-0398, 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide, 2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(m-tolyl)acetamide
| Molecular Formula | C26H22N4O3S |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | 4.91482 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.14127 |
| Heavy Atoms | 34 |
| Complexity | 1588.6501 |
Chemical Identifiers
| CAS Number | 536706-45-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53 |
Product Overview
G856-0996 (CAS 536706-45-3), with molecular formula C26H22N4O3S and molecular weight 470.14 g/mol. IUPAC: 2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of G856-0996
Property Insights of G856-0996
The XLogP value of 4.91482 indicates that G856-0996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.01 Ų falls within the moderate polarity range, balancing permeability and solubility for G856-0996. Following Lipinski's Rule of Five, G856-0996 has 2 hydrogen bond donor(s) and 5 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 G856-0996?
The CAS number of G856-0996 is 536706-45-3.
What is the molecular formula of G856-0996?
The molecular formula of G856-0996 is C26H22N4O3S.
What is the molecular weight of G856-0996?
The molecular weight of G856-0996 is 470.14 g/mol.
Where can I buy G856-0996?
You can request a quote for G856-0996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G856-0996?
Yes, KEHONG BIO provides custom synthesis services for G856-0996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.