![4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine structure](/static/products/900/900897-33-8.png)
4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
TL;DR: 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CAS 900897-33-8) is a chemical compound with molecular formula C21H28N2O2S and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-7,7-dimethyl-4-(3-methylbutylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine
Also Known As: 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine, 2-(4-methoxyphenyl)-7,7-dimethyl-4-(3-methylbutylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine, 2-(4-methoxyphenyl)-7,7-dimethyl-4-[(3-methylbutyl)sulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
| Molecular Formula | C21H28N2O2S |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 5.1417 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.18716 |
| Heavy Atoms | 26 |
| Complexity | 757.35156 |
Chemical Identifiers
| CAS Number | 900897-33-8 |
|---|---|
| SMILES | CC(C)CCSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=C(C=C3)OC |
Product Overview
4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CAS 900897-33-8), with molecular formula C21H28N2O2S and molecular weight 372.19 g/mol. IUPAC: 2-(4-methoxyphenyl)-7,7-dimethyl-4-(3-methylbutylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine.
Chemical Property Profile of 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Property Insights of 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
The XLogP value of 5.1417 indicates that 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-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 44.24 Ų, 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-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)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine 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 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The CAS number of 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is 900897-33-8.
What is the molecular formula of 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The molecular formula of 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is C21H28N2O2S.
What is the molecular weight of 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The molecular weight of 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is 372.19 g/mol.
Where can I buy 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
You can request a quote for 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-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)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(isopentylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.