![2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](/static/products/498/498568-45-9.png)
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
TL;DR: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 498568-45-9) is a chemical compound with molecular formula C28H27N3O3S2 and molecular weight 517.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-ethoxyphenyl)-2-((2-(indolin-1-yl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C28H27N3O3S2 |
|---|---|
| Molecular Weight | 517.15 g/mol |
| LogP | 5.4061 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.1494 |
| Heavy Atoms | 36 |
| Complexity | 1507.2462 |
Chemical Identifiers
| CAS Number | 498568-45-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N4CCC5=CC=CC=C54)SC6=C3CCCC6 |
Product Overview
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 498568-45-9), with molecular formula C28H27N3O3S2 and molecular weight 517.15 g/mol. IUPAC: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Property Insights of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
The XLogP value of 5.4061 indicates that 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The CAS number of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 498568-45-9.
What is the molecular formula of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular formula of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is C28H27N3O3S2.
What is the molecular weight of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular weight of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 517.15 g/mol.
Where can I buy 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
You can request a quote for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-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-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.