![1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione structure](/static/products/585/585561-96-2.png)
1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
TL;DR: 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione (CAS 585561-96-2) 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.
1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
Also Known As: 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione, 1-hexyl-7,7-dimethyl-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione, 1-hexyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione
| Molecular Formula | C21H28N2OS |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | 5.71119 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.19223 |
| Heavy Atoms | 25 |
| Complexity | 780.4733 |
Chemical Identifiers
| CAS Number | 585561-96-2 |
|---|---|
| SMILES | CCCCCCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=CC=C3 |
Product Overview
1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione (CAS 585561-96-2), with molecular formula C21H28N2OS and molecular weight 356.19 g/mol. IUPAC: 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione.
Chemical Property Profile of 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
Property Insights of 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
The XLogP value of 5.71119 indicates that 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione?
The CAS number of 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione is 585561-96-2.
What is the molecular formula of 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione?
The molecular formula of 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione is C21H28N2OS.
What is the molecular weight of 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione?
The molecular weight of 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione is 356.19 g/mol.
Where can I buy 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione?
You can request a quote for 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-hexyl-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.