![3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one structure](/static/products/5367/536708-17-5.webp)
3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536708-17-5) is a chemical compound with molecular formula C27H30N4O3S and molecular weight 490.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0570, 3-(4-ethoxyphenyl)-2-((2-(2-ethylpiperidin-1-yl)-2-oxoethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(4-ethoxyphenyl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C27H30N4O3S |
|---|---|
| Molecular Weight | 490.20 g/mol |
| LogP | 5.1489 |
| Topological Polar Surface Area | 80.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.20386 |
| Heavy Atoms | 35 |
| Complexity | 1409.987 |
Chemical Identifiers
| CAS Number | 536708-17-5 |
|---|---|
| SMILES | CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)OCC)NC5=CC=CC=C53 |
Product Overview
3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536708-17-5), with molecular formula C27H30N4O3S and molecular weight 490.20 g/mol. IUPAC: 3-(4-ethoxyphenyl)-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 5.1489 indicates that 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 536708-17-5.
What is the molecular formula of 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is C27H30N4O3S.
What is the molecular weight of 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 490.20 g/mol.
Where can I buy 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-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 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethoxyphenyl)-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.