IFLab1_005609
TL;DR: IFLab1_005609 (CAS 864937-83-7) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.07 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)-2,3-dihydro-1,4-dioxine-5-carboxamide
Also Known As: IFLab1_005609, IFLab2_000094, IDI1_011012, IDI1_019120, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
| Molecular Formula | C14H14N2O3S |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 2.32528 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.0725 |
| Heavy Atoms | 20 |
| Complexity | 612.6706 |
Chemical Identifiers
| CAS Number | 864937-83-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=COCCO3)C#N |
Product Overview
IFLab1_005609 (CAS 864937-83-7), with molecular formula C14H14N2O3S and molecular weight 290.07 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
Chemical Property Profile of IFLab1_005609
Property Insights of IFLab1_005609
The XLogP value of 2.32528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005609. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005609. Following Lipinski's Rule of Five, IFLab1_005609 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_005609?
The CAS number of IFLab1_005609 is 864937-83-7.
What is the molecular formula of IFLab1_005609?
The molecular formula of IFLab1_005609 is C14H14N2O3S.
What is the molecular weight of IFLab1_005609?
The molecular weight of IFLab1_005609 is 290.07 g/mol.
Where can I buy IFLab1_005609?
You can request a quote for IFLab1_005609 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005609?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.