IFLab1_005664
TL;DR: IFLab1_005664 (CAS 684238-03-7) is a chemical compound with molecular formula C18H18FN3O3S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-fluorophenyl)-6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: IFLab1_005664, IDI1_011067, 4-(2-fluorophenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, F1461-0560, 4-(2-fluorophenyl)-2-((2-morpholino-2-oxoethyl)thio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C18H18FN3O3S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 1.75638 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.1053 |
| Heavy Atoms | 26 |
| Complexity | 784.13116 |
Chemical Identifiers
| CAS Number | 684238-03-7 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=C(C(CC(=O)N2)C3=CC=CC=C3F)C#N |
Product Overview
IFLab1_005664 (CAS 684238-03-7), with molecular formula C18H18FN3O3S and molecular weight 375.11 g/mol. IUPAC: 4-(2-fluorophenyl)-6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of IFLab1_005664
Property Insights of IFLab1_005664
The XLogP value of 1.75638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005664. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005664. Following Lipinski's Rule of Five, IFLab1_005664 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_005664?
The CAS number of IFLab1_005664 is 684238-03-7.
What is the molecular formula of IFLab1_005664?
The molecular formula of IFLab1_005664 is C18H18FN3O3S.
What is the molecular weight of IFLab1_005664?
The molecular weight of IFLab1_005664 is 375.11 g/mol.
Where can I buy IFLab1_005664?
You can request a quote for IFLab1_005664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005664?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.