IFLab1_004163
TL;DR: IFLab1_004163 (CAS 314260-83-8) is a chemical compound with molecular formula C16H14N2O2S2 and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Also Known As: IFLab1_004163, AF-399/15031037, F0863-0646, 1-(furan-2-yl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone, 1-(furan-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
| Molecular Formula | C16H14N2O2S2 |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.04968 |
| Heavy Atoms | 22 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 314260-83-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)C4=CC=CO4 |
| InChIKey | DZILIBXJDQAOJM-UHFFFAOYSA-N |
Product Overview
IFLab1_004163 (CAS 314260-83-8), with molecular formula C16H14N2O2S2 and molecular weight 330.05 g/mol. IUPAC: 1-(furan-2-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone.
Chemical Property Profile of IFLab1_004163
Property Insights of IFLab1_004163
The XLogP value of 4.4 indicates that IFLab1_004163 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004163. Following Lipinski's Rule of Five, IFLab1_004163 has 0 hydrogen bond donor(s) and 6 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 IFLab1_004163?
The CAS number of IFLab1_004163 is 314260-83-8.
What is the molecular formula of IFLab1_004163?
The molecular formula of IFLab1_004163 is C16H14N2O2S2.
What is the molecular weight of IFLab1_004163?
The molecular weight of IFLab1_004163 is 330.05 g/mol.
Where can I buy IFLab1_004163?
You can request a quote for IFLab1_004163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004163?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.