![2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one structure](/static/products/893/893357-31-8.png)
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
TL;DR: 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one (CAS 893357-31-8) is a chemical compound with molecular formula C15H21N3O2S2 and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 2-((2-(azepan-1-yl)-2-oxoethyl)thio)-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C15H21N3O2S2 |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 1.9232 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.1075 |
| Heavy Atoms | 22 |
| Complexity | 621.949 |
Chemical Identifiers
| CAS Number | 893357-31-8 |
|---|---|
| SMILES | CN1C(=O)C2=C(CCS2)N=C1SCC(=O)N3CCCCCC3 |
Product Overview
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one (CAS 893357-31-8), with molecular formula C15H21N3O2S2 and molecular weight 339.11 g/mol. IUPAC: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
Property Insights of 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
The XLogP value of 1.9232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one. With a topological polar surface area (TPSA) of 55.2 Ų, 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one has 0 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 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
The CAS number of 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one is 893357-31-8.
What is the molecular formula of 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
The molecular formula of 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one is C15H21N3O2S2.
What is the molecular weight of 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
The molecular weight of 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one is 339.11 g/mol.
Where can I buy 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
You can request a quote for 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-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-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-methyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.