IFLab1_004708
TL;DR: IFLab1_004708 (CAS 369398-40-3) is a chemical compound with molecular formula C24H23N3O3S and molecular weight 433.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
Also Known As: IFLab1_004708, IDI1_010463, 2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide, AB00385220-04, F1155-0012
| Molecular Formula | C24H23N3O3S |
|---|---|
| Molecular Weight | 433.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.14603 |
| Heavy Atoms | 31 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 369398-40-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N |
| InChIKey | AVWFUNHTWVTAKP-UHFFFAOYSA-N |
Product Overview
IFLab1_004708 (CAS 369398-40-3), with molecular formula C24H23N3O3S and molecular weight 433.15 g/mol. IUPAC: 2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide.
Chemical Property Profile of IFLab1_004708
Property Insights of IFLab1_004708
The XLogP value of 3.4 indicates that IFLab1_004708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004708. Following Lipinski's Rule of Five, IFLab1_004708 has 2 hydrogen bond donor(s) and 6 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_004708?
The CAS number of IFLab1_004708 is 369398-40-3.
What is the molecular formula of IFLab1_004708?
The molecular formula of IFLab1_004708 is C24H23N3O3S.
What is the molecular weight of IFLab1_004708?
The molecular weight of IFLab1_004708 is 433.15 g/mol.
Where can I buy IFLab1_004708?
You can request a quote for IFLab1_004708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004708?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.