IFLab1_004216
TL;DR: IFLab1_004216 (CAS 201273-71-4) is a chemical compound with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid
Also Known As: IFLab1_004216, F0894-0235, 2-{[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid, 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetic acid, 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid
| Molecular Formula | C20H17N3O3S2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 3.90058 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.07114 |
| Heavy Atoms | 28 |
| Complexity | 989.4582 |
Chemical Identifiers
| CAS Number | 201273-71-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)O)C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3 |
Product Overview
IFLab1_004216 (CAS 201273-71-4), with molecular formula C20H17N3O3S2 and molecular weight 411.07 g/mol. IUPAC: 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid.
Chemical Property Profile of IFLab1_004216
Property Insights of IFLab1_004216
The XLogP value of 3.90058 indicates that IFLab1_004216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004216. Following Lipinski's Rule of Five, IFLab1_004216 has 3 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_004216?
The CAS number of IFLab1_004216 is 201273-71-4.
What is the molecular formula of IFLab1_004216?
The molecular formula of IFLab1_004216 is C20H17N3O3S2.
What is the molecular weight of IFLab1_004216?
The molecular weight of IFLab1_004216 is 411.07 g/mol.
Where can I buy IFLab1_004216?
You can request a quote for IFLab1_004216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004216?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.