IFLab1_000716
TL;DR: IFLab1_000716 (CAS 299945-19-0) is a chemical compound with molecular formula C21H23FN2O4S and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
Also Known As: IFLab1_000716, BAS 00411544, ethyl 2-(2-fluorobenzamido)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate, F0265-0913, ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
| Molecular Formula | C21H23FN2O4S |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.25072 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.13626 |
| Heavy Atoms | 29 |
| Complexity | 934.75745 |
Chemical Identifiers
| CAS Number | 299945-19-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCC2)NC(=O)C3=CC=CC=C3F |
Product Overview
IFLab1_000716 (CAS 299945-19-0), with molecular formula C21H23FN2O4S and molecular weight 418.14 g/mol. IUPAC: ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate.
Chemical Property Profile of IFLab1_000716
Property Insights of IFLab1_000716
The XLogP value of 4.25072 indicates that IFLab1_000716 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000716. Following Lipinski's Rule of Five, IFLab1_000716 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_000716?
The CAS number of IFLab1_000716 is 299945-19-0.
What is the molecular formula of IFLab1_000716?
The molecular formula of IFLab1_000716 is C21H23FN2O4S.
What is the molecular weight of IFLab1_000716?
The molecular weight of IFLab1_000716 is 418.14 g/mol.
Where can I buy IFLab1_000716?
You can request a quote for IFLab1_000716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000716?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.