IFLab1_001856
TL;DR: IFLab1_001856 (CAS 391867-15-5) is a chemical compound with molecular formula C19H16N2O3S and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-2,3,4,5,6,7-hexahydro-1-benzothiophen-2-yl)-2-oxochromene-3-carboxamide
Also Known As: IFLab1_001856, IFLab2_000121, IDI1_019147, F0463-0090, N-(3-cyano-2,3,4,5,6,7-hexahydrobenzo[b]thiophen-2-yl)-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C19H16N2O3S |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 3.56358 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.08817 |
| Heavy Atoms | 25 |
| Complexity | 986.06213 |
Chemical Identifiers
| CAS Number | 391867-15-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(C(S2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C#N |
Product Overview
IFLab1_001856 (CAS 391867-15-5), with molecular formula C19H16N2O3S and molecular weight 352.09 g/mol. IUPAC: N-(3-cyano-2,3,4,5,6,7-hexahydro-1-benzothiophen-2-yl)-2-oxochromene-3-carboxamide.
Chemical Property Profile of IFLab1_001856
Property Insights of IFLab1_001856
The XLogP value of 3.56358 indicates that IFLab1_001856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001856. Following Lipinski's Rule of Five, IFLab1_001856 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_001856?
The CAS number of IFLab1_001856 is 391867-15-5.
What is the molecular formula of IFLab1_001856?
The molecular formula of IFLab1_001856 is C19H16N2O3S.
What is the molecular weight of IFLab1_001856?
The molecular weight of IFLab1_001856 is 352.09 g/mol.
Where can I buy IFLab1_001856?
You can request a quote for IFLab1_001856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001856?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.