(2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile
TL;DR: (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile (CAS 799809-37-3) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile
Also Known As: (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile, (Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenylthiazolidin-2-ylidene)propanenitrile
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 2.90418 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 700.7241 |
Chemical Identifiers
| CAS Number | 799809-37-3 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)/C(=C\2/N(C(=O)CS2)C3=CC=CC=C3)/C#N |
Product Overview
(2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile (CAS 799809-37-3), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile.
Chemical Property Profile of (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile
Property Insights of (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile
The XLogP value of 2.90418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile. Following Lipinski's Rule of Five, (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile has 0 hydrogen bond donor(s) and 4 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 (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile?
The CAS number of (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile is 799809-37-3.
What is the molecular formula of (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile?
The molecular formula of (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile is C18H19N3O2S.
What is the molecular weight of (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile?
The molecular weight of (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile is 341.12 g/mol.
Where can I buy (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile?
You can request a quote for (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-(azepan-1-yl)-3-oxo-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.