![3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5887/588715-50-8.webp)
3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 588715-50-8) is a chemical compound with molecular formula C18H22N4OS2 and molecular weight 374.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2,3,5,6,7,8-hexahydro-7-methyl-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one, 3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-3,5,6,7,8-pentahy drobenzo[b]thiopheno[2,3-d]pyrimidin-4-one, 3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C18H22N4OS2 |
|---|---|
| Molecular Weight | 374.12 g/mol |
| LogP | 3.81851 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.1235 |
| Heavy Atoms | 25 |
| Complexity | 1069.3516 |
Chemical Identifiers
| CAS Number | 588715-50-8 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C)CN2C(=O)C3=C(NC2=S)SC4=C3CCC(C4)C |
Product Overview
3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 588715-50-8), with molecular formula C18H22N4OS2 and molecular weight 374.12 g/mol. IUPAC: 3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 3.81851 indicates that 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-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 55.61 Ų, 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-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-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 4 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-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 588715-50-8.
What is the molecular formula of 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is C18H22N4OS2.
What is the molecular weight of 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one is 374.12 g/mol.
Where can I buy 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-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-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-methyl-2-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.