![2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione structure](/static/products/3719/371934-60-0.webp)
2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione (CAS 371934-60-0) is a chemical compound with molecular formula C25H25N3O3S2 and molecular weight 479.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione
Also Known As: 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione, 2-(4-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butyl)isoindoline-1,3-dione, 2-[4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione, 2-[4-[[3,4,5,6,7,8-Hexahydro-4-oxo-3-(2-propen-1-yl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]butyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C25H25N3O3S2 |
|---|---|
| Molecular Weight | 479.13 g/mol |
| LogP | 4.6913 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.13373 |
| Heavy Atoms | 33 |
| Complexity | 1289.4137 |
Chemical Identifiers
| CAS Number | 371934-60-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O)SC5=C2CCCC5 |
Product Overview
2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione (CAS 371934-60-0), with molecular formula C25H25N3O3S2 and molecular weight 479.13 g/mol. IUPAC: 2-[4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 4.6913 indicates that 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione has 0 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 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione is 371934-60-0.
What is the molecular formula of 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione is C25H25N3O3S2.
What is the molecular weight of 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione is 479.13 g/mol.
Where can I buy 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.