![2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone structure](/static/products/851/851130-07-9.png)
2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone
TL;DR: 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone (CAS 851130-07-9) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-pyrrolidin-1-ylethanone
Also Known As: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone, F0596-0001, 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-pyrrolidin-1-ylethanone, 2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.0905 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 839.64465 |
Chemical Identifiers
| CAS Number | 851130-07-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43 |
Product Overview
2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone (CAS 851130-07-9), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone
Property Insights of 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone
The XLogP value of 3.0905 indicates that 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone has 0 hydrogen bond donor(s) and 5 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 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone?
The CAS number of 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone is 851130-07-9.
What is the molecular formula of 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone?
The molecular formula of 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone is C16H15N3O2S.
What is the molecular weight of 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone?
The molecular weight of 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone is 313.09 g/mol.
Where can I buy 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone?
You can request a quote for 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(pyrrolidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.