IFLab1_004303
TL;DR: IFLab1_004303 (CAS 324064-20-2) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dihydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: IFLab1_004303, 2-[(Z)-[(2,4-DIHYDROXYPHENYL)METHYLIDENE]AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 324064-20-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N=CC3=C(C=C(C=C3)O)O)C#N |
| InChIKey | XSVDVICOKJCXSF-UHFFFAOYSA-N |
Product Overview
IFLab1_004303 (CAS 324064-20-2), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 2-[(2,4-dihydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of IFLab1_004303
Property Insights of IFLab1_004303
The XLogP value of 3.5 indicates that IFLab1_004303 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004303. Following Lipinski's Rule of Five, IFLab1_004303 has 2 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_004303?
The CAS number of IFLab1_004303 is 324064-20-2.
What is the molecular formula of IFLab1_004303?
The molecular formula of IFLab1_004303 is C16H14N2O2S.
What is the molecular weight of IFLab1_004303?
The molecular weight of IFLab1_004303 is 298.08 g/mol.
Where can I buy IFLab1_004303?
You can request a quote for IFLab1_004303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004303?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.