IFLab1_000373
TL;DR: IFLab1_000373 (CAS 330677-06-0) is a chemical compound with molecular formula C15H14N2OS2 and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
Also Known As: IFLab1_000373, IDI1_008592, N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide, F0147-0315, N-(3-cyano-5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)thiophene-2-carboxamide
| Molecular Formula | C15H14N2OS2 |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 4.05838 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.05475 |
| Heavy Atoms | 20 |
| Complexity | 679.53723 |
Chemical Identifiers
| CAS Number | 330677-06-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CS3)C#N |
Product Overview
IFLab1_000373 (CAS 330677-06-0), with molecular formula C15H14N2OS2 and molecular weight 302.05 g/mol. IUPAC: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide.
Chemical Property Profile of IFLab1_000373
Property Insights of IFLab1_000373
The XLogP value of 4.05838 indicates that IFLab1_000373 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, IFLab1_000373 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_000373 has 1 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_000373?
The CAS number of IFLab1_000373 is 330677-06-0.
What is the molecular formula of IFLab1_000373?
The molecular formula of IFLab1_000373 is C15H14N2OS2.
What is the molecular weight of IFLab1_000373?
The molecular weight of IFLab1_000373 is 302.05 g/mol.
Where can I buy IFLab1_000373?
You can request a quote for IFLab1_000373 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000373?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000373 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.