![2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone structure](/static/products/902/902017-09-8.png)
2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone
TL;DR: 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 902017-09-8) is a chemical compound with molecular formula C22H27N3O2S and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-ylethanone
Also Known As: 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone, 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-ylethanone, 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
| Molecular Formula | C22H27N3O2S |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 4.0995 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.1824 |
| Heavy Atoms | 28 |
| Complexity | 848.3604 |
Chemical Identifiers
| CAS Number | 902017-09-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N4CCCCC4)C |
Product Overview
2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 902017-09-8), with molecular formula C22H27N3O2S and molecular weight 397.18 g/mol. IUPAC: 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone
Property Insights of 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone
The XLogP value of 4.0995 indicates that 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.32 Ų, 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone 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-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
The CAS number of 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone is 902017-09-8.
What is the molecular formula of 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular formula of 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone is C22H27N3O2S.
What is the molecular weight of 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular weight of 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone is 397.18 g/mol.
Where can I buy 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
You can request a quote for 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.