![3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/6131/6131-65-3.webp)
3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 6131-65-3) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-METHYL-2-{[2-OXO-2-(PIPERIDIN-1-YL)ETHYL]SULFANYL}-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE, 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-Methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, REGID_for_CID_2155537
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 2.5194 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 1001.3876 |
Chemical Identifiers
| CAS Number | 6131-65-3 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCC4 |
Product Overview
3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 6131-65-3), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: 3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.5194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one 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 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 6131-65-3.
What is the molecular formula of 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H20N4O2S.
What is the molecular weight of 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 356.13 g/mol.
Where can I buy 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.