IFLab1_001865
TL;DR: IFLab1_001865 (CAS 296799-48-9) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
Also Known As: IFLab1_001865, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide, F0440-0382, A0719/0033516, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 296799-48-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)CCC3=O)C#N |
| InChIKey | CCEDSHVTONJDRU-UHFFFAOYSA-N |
Product Overview
IFLab1_001865 (CAS 296799-48-9), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
Chemical Property Profile of IFLab1_001865
Property Insights of IFLab1_001865
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001865. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001865. Following Lipinski's Rule of Five, IFLab1_001865 has 1 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 IFLab1_001865?
The CAS number of IFLab1_001865 is 296799-48-9.
What is the molecular formula of IFLab1_001865?
The molecular formula of IFLab1_001865 is C15H15N3O3S.
What is the molecular weight of IFLab1_001865?
The molecular weight of IFLab1_001865 is 317.08 g/mol.
Where can I buy IFLab1_001865?
You can request a quote for IFLab1_001865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001865?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.