![3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/887/887216-53-7.png)
3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 887216-53-7) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F1882-1342, 3-ethyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-ethyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-[(p-anisoyl)methylthio]-2-ethyl-2,4,9-triaza-2,9-dihydro-1H-fluoren-1-one
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.8813 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 1225.5908 |
Chemical Identifiers
| CAS Number | 887216-53-7 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)C4=CC=C(C=C4)OC |
Product Overview
3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one (CAS 887216-53-7), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.8813 indicates that 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one has 1 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 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one is 887216-53-7.
What is the molecular formula of 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one is C21H19N3O3S.
What is the molecular weight of 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one is 393.11 g/mol.
Where can I buy 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.