![3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/888/888445-71-4.png)
3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 888445-71-4) is a chemical compound with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one, 2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C19H20N4O3S |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 2.0147 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.1256 |
| Heavy Atoms | 27 |
| Complexity | 1065.9281 |
Chemical Identifiers
| CAS Number | 888445-71-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCOCC4 |
Product Overview
3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 888445-71-4), with molecular formula C19H20N4O3S and molecular weight 384.13 g/mol. IUPAC: 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.0147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 80.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-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-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 888445-71-4.
What is the molecular formula of 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is C19H20N4O3S.
What is the molecular weight of 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 384.13 g/mol.
Where can I buy 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-allyl-2-((2-morpholino-2-oxoethyl)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-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.