IFLab1_005213
TL;DR: IFLab1_005213 (CAS 324058-65-3) is a chemical compound with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(thiophen-2-ylmethylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: IFLab1_005213, BAS 00464420, F1175-0083, 2-[(E)-[(thiophen-2-yl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-(thiophen-2-ylmethylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C14H12N2S2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0442 |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 324058-65-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N=CC3=CC=CS3)C#N |
| InChIKey | TZJCTZKVAMHOPV-UHFFFAOYSA-N |
Product Overview
IFLab1_005213 (CAS 324058-65-3), with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol. IUPAC: 2-(thiophen-2-ylmethylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of IFLab1_005213
Property Insights of IFLab1_005213
The XLogP value of 4.2 indicates that IFLab1_005213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005213. Following Lipinski's Rule of Five, IFLab1_005213 has 0 hydrogen bond donor(s) and 4 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_005213?
The CAS number of IFLab1_005213 is 324058-65-3.
What is the molecular formula of IFLab1_005213?
The molecular formula of IFLab1_005213 is C14H12N2S2.
What is the molecular weight of IFLab1_005213?
The molecular weight of IFLab1_005213 is 272.04 g/mol.
Where can I buy IFLab1_005213?
You can request a quote for IFLab1_005213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005213?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.