IFLab1_005018
TL;DR: IFLab1_005018 (CAS 324776-86-5) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Also Known As: IFLab1_005018, 2-[(1Z)-2-(2,5-dimethoxyphenyl)-1-azavinyl]-4,5,6-trihydrocyclopenta[1,2-b]thi ophene-3-carbonitrile, 2-[(2,5-dimethoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-[(E)-[(2,5-DIMETHOXYPHENYL)METHYLIDENE]AMINO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBONITRILE
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 324776-86-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C=NC2=C(C3=C(S2)CCC3)C#N |
| InChIKey | NSCHIJXELRAMID-UHFFFAOYSA-N |
Product Overview
IFLab1_005018 (CAS 324776-86-5), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 2-[(2,5-dimethoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile.
Chemical Property Profile of IFLab1_005018
Property Insights of IFLab1_005018
The XLogP value of 3.6 indicates that IFLab1_005018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005018. Following Lipinski's Rule of Five, IFLab1_005018 has 0 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_005018?
The CAS number of IFLab1_005018 is 324776-86-5.
What is the molecular formula of IFLab1_005018?
The molecular formula of IFLab1_005018 is C17H16N2O2S.
What is the molecular weight of IFLab1_005018?
The molecular weight of IFLab1_005018 is 312.09 g/mol.
Where can I buy IFLab1_005018?
You can request a quote for IFLab1_005018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005018?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.