![3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE structure](/static/products/4985/498546-89-7.webp)
3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
TL;DR: 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE (CAS 498546-89-7) is a chemical compound with molecular formula C25H21BrN2OS2 and molecular weight 508.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 3-(4-bromophenyl)-2-(cinnamylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-((2E)-3-phenylprop-2-enylthio)-3-(4-bromophenyl)-3,5,6,7,8-pentahydrobenzo[b ]thiopheno[2,3-d]pyrimidin-4-one, 3-(4-bromophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-(4-bromophenyl)-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H21BrN2OS2 |
|---|---|
| Molecular Weight | 508.03 g/mol |
| LogP | 6.894 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.02786 |
| Heavy Atoms | 31 |
| Complexity | 1307.6073 |
Chemical Identifiers
| CAS Number | 498546-89-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Br)SC/C=C/C5=CC=CC=C5 |
Product Overview
3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE (CAS 498546-89-7), with molecular formula C25H21BrN2OS2 and molecular weight 508.03 g/mol. IUPAC: 3-(4-bromophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Property Insights of 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
The XLogP value of 6.894 indicates that 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE has 0 hydrogen bond donor(s) and 4 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-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
The CAS number of 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is 498546-89-7.
What is the molecular formula of 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
The molecular formula of 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is C25H21BrN2OS2.
What is the molecular weight of 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
The molecular weight of 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE is 508.03 g/mol.
Where can I buy 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
You can request a quote for 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-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-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-BROMOPHENYL)-2-{[(2E)-3-PHENYL-2-PROPENYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.