IFLab1_005945
TL;DR: IFLab1_005945 (CAS 384801-65-4) is a chemical compound with molecular formula C15H20N2OS and molecular weight 276.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: IFLab1_005945, IDI1_011348, F1405-0260, AF-399/41048409, 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C15H20N2OS |
|---|---|
| Molecular Weight | 276.13 g/mol |
| LogP | 3.5257 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.12964 |
| Heavy Atoms | 19 |
| Complexity | 668.3257 |
Chemical Identifiers
| CAS Number | 384801-65-4 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)C3=C(S2)N=CNC3=O |
Product Overview
IFLab1_005945 (CAS 384801-65-4), with molecular formula C15H20N2OS and molecular weight 276.13 g/mol. IUPAC: 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of IFLab1_005945
Property Insights of IFLab1_005945
The XLogP value of 3.5257 indicates that IFLab1_005945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, IFLab1_005945 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005945 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 IFLab1_005945?
The CAS number of IFLab1_005945 is 384801-65-4.
What is the molecular formula of IFLab1_005945?
The molecular formula of IFLab1_005945 is C15H20N2OS.
What is the molecular weight of IFLab1_005945?
The molecular weight of IFLab1_005945 is 276.13 g/mol.
Where can I buy IFLab1_005945?
You can request a quote for IFLab1_005945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005945?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.