![2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one structure](/static/products/888/888445-55-4.png)
2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
TL;DR: 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 888445-55-4) is a chemical compound with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one, 3-allyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C19H20N4O2S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 2.7783 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.1307 |
| Heavy Atoms | 26 |
| Complexity | 1046.7955 |
Chemical Identifiers
| CAS Number | 888445-55-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCC4 |
Product Overview
2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 888445-55-4), with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol. IUPAC: 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
Property Insights of 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.7783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-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 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 888445-55-4.
What is the molecular formula of 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is C19H20N4O2S.
What is the molecular weight of 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 368.13 g/mol.
Where can I buy 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,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 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.