IFLab1_005339
TL;DR: IFLab1_005339 (CAS 864858-59-3) is a chemical compound with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-cyanobenzamide
Also Known As: IFLab1_005339, IDI1_010742, AB00673776-01, F1298-0854, N-{6-acetyl-3-cyano-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}-4-cyanobenzamide
| Molecular Formula | C18H14N4O2S |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 2.64836 |
| Topological Polar Surface Area | 96.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.08374 |
| Heavy Atoms | 25 |
| Complexity | 931.7113 |
Chemical Identifiers
| CAS Number | 864858-59-3 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C#N |
Product Overview
IFLab1_005339 (CAS 864858-59-3), with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol. IUPAC: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-cyanobenzamide.
Chemical Property Profile of IFLab1_005339
Property Insights of IFLab1_005339
The XLogP value of 2.64836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005339. The TPSA of 96.99 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005339. Following Lipinski's Rule of Five, IFLab1_005339 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_005339?
The CAS number of IFLab1_005339 is 864858-59-3.
What is the molecular formula of IFLab1_005339?
The molecular formula of IFLab1_005339 is C18H14N4O2S.
What is the molecular weight of IFLab1_005339?
The molecular weight of IFLab1_005339 is 350.08 g/mol.
Where can I buy IFLab1_005339?
You can request a quote for IFLab1_005339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005339?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.