![2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate structure](/static/products/4462/446280-47-3.webp)
2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate
TL;DR: 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate (CAS 446280-47-3) is a chemical compound with molecular formula C17H22N2O2S2 and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Also Known As: 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate, 2-Methylpropyl [(7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate, 2-methylpropyl 2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
| Molecular Formula | C17H22N2O2S2 |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 4.1074 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.11227 |
| Heavy Atoms | 23 |
| Complexity | 711.92645 |
Chemical Identifiers
| CAS Number | 446280-47-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SCC(=O)OCC(C)C |
Product Overview
2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate (CAS 446280-47-3), with molecular formula C17H22N2O2S2 and molecular weight 350.11 g/mol. IUPAC: 2-methylpropyl 2-[(7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetate.
Chemical Property Profile of 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate
Property Insights of 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate
The XLogP value of 4.1074 indicates that 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate 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-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate?
The CAS number of 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate is 446280-47-3.
What is the molecular formula of 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate?
The molecular formula of 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate is C17H22N2O2S2.
What is the molecular weight of 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate?
The molecular weight of 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate is 350.11 g/mol.
Where can I buy 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate?
You can request a quote for 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 2-[(5,6,7,8-tetrahydro-7-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.