![4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine structure](/static/products/902/902045-11-8.png)
4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
TL;DR: 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CAS 902045-11-8) is a chemical compound with molecular formula C21H28N2OS and molecular weight 356.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-4-(3-methylbutylsulfanyl)-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine
Also Known As: 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine, 7,7-dimethyl-4-(3-methylbutylsulfanyl)-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine, 7,7-dimethyl-4-[(3-methylbutyl)sulfanyl]-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
| Molecular Formula | C21H28N2OS |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | 5.44152 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.19223 |
| Heavy Atoms | 25 |
| Complexity | 738.3064 |
Chemical Identifiers
| CAS Number | 902045-11-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCCC(C)C |
Product Overview
4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CAS 902045-11-8), with molecular formula C21H28N2OS and molecular weight 356.19 g/mol. IUPAC: 7,7-dimethyl-4-(3-methylbutylsulfanyl)-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine.
Chemical Property Profile of 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Property Insights of 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
The XLogP value of 5.44152 indicates that 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The CAS number of 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is 902045-11-8.
What is the molecular formula of 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The molecular formula of 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is C21H28N2OS.
What is the molecular weight of 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The molecular weight of 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is 356.19 g/mol.
Where can I buy 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
You can request a quote for 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(isopentylthio)-7,7-dimethyl-2-(p-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.