![5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/4061/406199-73-3.webp)
5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 406199-73-3) is a chemical compound with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropyl)-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, AE-848/36199052, 5-(2-methylpropyl)-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one, 5-(2-methylpropyl)-3-phenyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C16H16N2OS2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 4.30829 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0704 |
| Heavy Atoms | 21 |
| Complexity | 888.02124 |
Chemical Identifiers
| CAS Number | 406199-73-3 |
|---|---|
| SMILES | CC(C)CC1=CSC2=C1C(=O)N(C(=S)N2)C3=CC=CC=C3 |
Product Overview
5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one (CAS 406199-73-3), with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol. IUPAC: 5-(2-methylpropyl)-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 4.30829 indicates that 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one has 1 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 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 406199-73-3.
What is the molecular formula of 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is C16H16N2OS2.
What is the molecular weight of 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one is 316.07 g/mol.
Where can I buy 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-isobutyl-3-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.