IFLab1_001983
TL;DR: IFLab1_001983 (CAS 347363-75-1) is a chemical compound with molecular formula C20H15ClF3N3O3S2 and molecular weight 501.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-chlorophenyl)-5-cyano-2-hydroxy-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: IFLab1_001983, BAS 01369434, 2-((4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, F0423-0008, A2241/0094352
| Molecular Formula | C20H15ClF3N3O3S2 |
|---|---|
| Molecular Weight | 501.02 g/mol |
| LogP | 3.79198 |
| Topological Polar Surface Area | 116.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.01953 |
| Heavy Atoms | 32 |
| Complexity | 1115.2787 |
Chemical Identifiers
| CAS Number | 347363-75-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C(C(NC(=C2C#N)SCC(=O)N)(C(F)(F)F)O)C(=O)C3=CC=CS3)Cl |
Product Overview
IFLab1_001983 (CAS 347363-75-1), with molecular formula C20H15ClF3N3O3S2 and molecular weight 501.02 g/mol. IUPAC: 2-[[4-(2-chlorophenyl)-5-cyano-2-hydroxy-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of IFLab1_001983
Property Insights of IFLab1_001983
The XLogP value of 3.79198 indicates that IFLab1_001983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.21 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001983. Following Lipinski's Rule of Five, IFLab1_001983 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_001983?
The CAS number of IFLab1_001983 is 347363-75-1.
What is the molecular formula of IFLab1_001983?
The molecular formula of IFLab1_001983 is C20H15ClF3N3O3S2.
What is the molecular weight of IFLab1_001983?
The molecular weight of IFLab1_001983 is 501.02 g/mol.
Where can I buy IFLab1_001983?
You can request a quote for IFLab1_001983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001983?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.