![2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](/static/products/5519/5519-46-0.webp)
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
TL;DR: 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 5519-46-0) is a chemical compound with molecular formula C20H22FN3OS and molecular weight 371.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-({[(2-Fluorophenyl)methyl](methyl)amino}methyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H22FN3OS |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | 3.8805 |
| Topological Polar Surface Area | 48.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.14676 |
| Heavy Atoms | 26 |
| Complexity | 1009.9492 |
Chemical Identifiers
| CAS Number | 5519-46-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CN(C)CC4=CC=CC=C4F |
Product Overview
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 5519-46-0), with molecular formula C20H22FN3OS and molecular weight 371.15 g/mol. IUPAC: 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Property Insights of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
The XLogP value of 3.8805 indicates that 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.99 Ų, 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-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 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The CAS number of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is 5519-46-0.
What is the molecular formula of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular formula of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is C20H22FN3OS.
What is the molecular weight of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
The molecular weight of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one is 371.15 g/mol.
Where can I buy 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
You can request a quote for 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[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-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.