![7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](/static/products/5608/5608-61-7.webp)
7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
TL;DR: 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 5608-61-7) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 7-Methyl-2-{[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 4.0719 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 1063.267 |
Chemical Identifiers
| CAS Number | 5608-61-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=CN4)CC=C |
Product Overview
7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 5608-61-7), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Property Insights of 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
The XLogP value of 4.0719 indicates that 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-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 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one has 1 hydrogen bond donor(s) and 5 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 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The CAS number of 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 5608-61-7.
What is the molecular formula of 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular formula of 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is C20H21N3O2S2.
What is the molecular weight of 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular weight of 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is 399.11 g/mol.
Where can I buy 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
You can request a quote for 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-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 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-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.