![3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide structure](/static/products/879/879347-56-5.png)
3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide
TL;DR: 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide (CAS 879347-56-5) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
Also Known As: 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 4.42814 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 886.7591 |
Chemical Identifiers
| CAS Number | 879347-56-5 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCC4 |
Product Overview
3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide (CAS 879347-56-5), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide.
Chemical Property Profile of 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide
Property Insights of 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide
The XLogP value of 4.42814 indicates that 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide. Following Lipinski's Rule of Five, 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide has 1 hydrogen bond donor(s) and 6 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 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide?
The CAS number of 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide is 879347-56-5.
What is the molecular formula of 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide?
The molecular formula of 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide is C21H25N3O3S.
What is the molecular weight of 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide?
The molecular weight of 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide is 399.16 g/mol.
Where can I buy 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide?
You can request a quote for 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-{spiro[1,3-dioxaindane-2,1'-cyclopentan]-6-yl}propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.