![3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536706-27-1.webp)
3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536706-27-1) is a chemical compound with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-methoxyphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 3-(3-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C23H22N4O4S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 2.8265 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.13617 |
| Heavy Atoms | 32 |
| Complexity | 1357.375 |
Chemical Identifiers
| CAS Number | 536706-27-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCOCC5 |
Product Overview
3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536706-27-1), with molecular formula C23H22N4O4S and molecular weight 450.14 g/mol. IUPAC: 3-(3-methoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.8265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 6 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-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 536706-27-1.
What is the molecular formula of 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is C23H22N4O4S.
What is the molecular weight of 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one is 450.14 g/mol.
Where can I buy 3-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-2-((2-morpholino-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methoxyphenyl)-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.