Irestatin 9389
TL;DR: Irestatin 9389 (CAS 626221-47-4) is a chemical compound with molecular formula C16H13F3N4OS2 and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Also Known As: Irestatin 9389, BAS 06901326, AM-807/41625902, 2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide, 2-((3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
| Molecular Formula | C16H13F3N4OS2 |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 3.9565 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.04828 |
| Heavy Atoms | 26 |
| Complexity | 902.12054 |
Chemical Identifiers
| CAS Number | 626221-47-4 |
|---|---|
| SMILES | CC1=CSC(=N1)NC(=O)CSC2=NC3=C(CCC3)C(=C2C#N)C(F)(F)F |
Product Overview
Irestatin 9389 (CAS 626221-47-4), with molecular formula C16H13F3N4OS2 and molecular weight 398.05 g/mol. IUPAC: 2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of Irestatin 9389
Property Insights of Irestatin 9389
The XLogP value of 3.9565 indicates that Irestatin 9389 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Irestatin 9389. Following Lipinski's Rule of Five, Irestatin 9389 has 1 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 Irestatin 9389?
The CAS number of Irestatin 9389 is 626221-47-4.
What is the molecular formula of Irestatin 9389?
The molecular formula of Irestatin 9389 is C16H13F3N4OS2.
What is the molecular weight of Irestatin 9389?
The molecular weight of Irestatin 9389 is 398.05 g/mol.
Where can I buy Irestatin 9389?
You can request a quote for Irestatin 9389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irestatin 9389?
Yes, KEHONG BIO provides custom synthesis services for Irestatin 9389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.