![1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione structure](/static/products/839/839700-46-8.png)
1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione
TL;DR: 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione (CAS 839700-46-8) is a chemical compound with molecular formula C19H24N2OS and molecular weight 328.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-1-(2-methylpropyl)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
Also Known As: 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione, 7,7-dimethyl-1-(2-methylpropyl)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione, 7,7-dimethyl-1-(2-methylpropyl)-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
| Molecular Formula | C19H24N2OS |
|---|---|
| Molecular Weight | 328.16 g/mol |
| LogP | 4.78689 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.16095 |
| Heavy Atoms | 23 |
| Complexity | 762.9293 |
Chemical Identifiers
| CAS Number | 839700-46-8 |
|---|---|
| SMILES | CC(C)CN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=CC=C3 |
Product Overview
1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione (CAS 839700-46-8), with molecular formula C19H24N2OS and molecular weight 328.16 g/mol. IUPAC: 7,7-dimethyl-1-(2-methylpropyl)-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione.
Chemical Property Profile of 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione
Property Insights of 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione
The XLogP value of 4.78689 indicates that 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-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-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione has 0 hydrogen bond donor(s) and 3 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 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione?
The CAS number of 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione is 839700-46-8.
What is the molecular formula of 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione?
The molecular formula of 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione is C19H24N2OS.
What is the molecular weight of 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione?
The molecular weight of 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione is 328.16 g/mol.
Where can I buy 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione?
You can request a quote for 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-isobutyl-7,7-dimethyl-2-phenyl-7,8-dihydro-1H-pyrano[4,3-d]pyrimidine-4(5H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.