![1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone structure](/static/products/900/900898-60-4.png)
1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone
TL;DR: 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone (CAS 900898-60-4) is a chemical compound with molecular formula C24H23ClN2O2S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}ethanone
| Molecular Formula | C24H23ClN2O2S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 5.93172 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.11688 |
| Heavy Atoms | 30 |
| Complexity | 1096.8601 |
Chemical Identifiers
| CAS Number | 900898-60-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone (CAS 900898-60-4), with molecular formula C24H23ClN2O2S and molecular weight 438.12 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone
Property Insights of 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone
The XLogP value of 5.93172 indicates that 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone?
The CAS number of 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone is 900898-60-4.
What is the molecular formula of 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone?
The molecular formula of 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone is C24H23ClN2O2S.
What is the molecular weight of 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone?
The molecular weight of 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone is 438.12 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone?
You can request a quote for 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.