![3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one structure](/static/products/892/892287-75-1.png)
3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
TL;DR: 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one (CAS 892287-75-1) is a chemical compound with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylbutyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
Also Known As: BB 0242659, 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one, 3-(3-methylbutyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one, 3-(3-Methyl-butyl)-2-thioxo-2,3-dihydro-1H-be nzo[4,5]furo[3,2-d]pyrimidin-4-one, 3-ISOPENTYL-2-THIOXO-2,3-DIHYDRO[1]BENZOFURO[3,2-D]PYRIMIDIN-4(1H)-ONE
| Molecular Formula | C15H16N2O2S |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 3.85139 |
| Topological Polar Surface Area | 50.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.09326 |
| Heavy Atoms | 20 |
| Complexity | 886.1466 |
Chemical Identifiers
| CAS Number | 892287-75-1 |
|---|---|
| SMILES | CC(C)CCN1C(=O)C2=C(C3=CC=CC=C3O2)NC1=S |
Product Overview
3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one (CAS 892287-75-1), with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol. IUPAC: 3-(3-methylbutyl)-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
Property Insights of 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one
The XLogP value of 3.85139 indicates that 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-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 50.93 Ų, 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-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 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one?
The CAS number of 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one is 892287-75-1.
What is the molecular formula of 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one?
The molecular formula of 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one is C15H16N2O2S.
What is the molecular weight of 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one?
The molecular weight of 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one is 288.09 g/mol.
Where can I buy 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one?
You can request a quote for 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-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 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methylbutyl)-2-thioxo-2,3-dihydro[1]benzofuro[3,2-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.