IFLab1_002153
TL;DR: IFLab1_002153 (CAS 686770-59-2) is a chemical compound with molecular formula C19H21N3O3S2 and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(oxolan-2-ylmethyl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: IFLab1_002153, AB00659806-02, AB00659806-07, F0579-0035, 2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
| Molecular Formula | C19H21N3O3S2 |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 2.268 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.10245 |
| Heavy Atoms | 27 |
| Complexity | 879.7589 |
Chemical Identifiers
| CAS Number | 686770-59-2 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)SCC3 |
Product Overview
IFLab1_002153 (CAS 686770-59-2), with molecular formula C19H21N3O3S2 and molecular weight 403.10 g/mol. IUPAC: N-(oxolan-2-ylmethyl)-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of IFLab1_002153
Property Insights of IFLab1_002153
The XLogP value of 2.268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_002153. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002153. Following Lipinski's Rule of Five, IFLab1_002153 has 1 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_002153?
The CAS number of IFLab1_002153 is 686770-59-2.
What is the molecular formula of IFLab1_002153?
The molecular formula of IFLab1_002153 is C19H21N3O3S2.
What is the molecular weight of IFLab1_002153?
The molecular weight of IFLab1_002153 is 403.10 g/mol.
Where can I buy IFLab1_002153?
You can request a quote for IFLab1_002153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002153?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.