BAS 04357868
TL;DR: BAS 04357868 (CAS 1164465-01-3) is a chemical compound with molecular formula C18H22N4O2S2 and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
Also Known As: BAS 04357868, F1199-0050, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(2E)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide, N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-{3-ethyl-2-[(Z)-ethylimino]-4-oxo-thiazolidin-5-yl}-acetamide
| Molecular Formula | C18H22N4O2S2 |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.1184 |
| Heavy Atoms | 26 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 1164465-01-3 |
|---|---|
| SMILES | CCN=C1N(C(=O)C(S1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CC |
| InChIKey | NSTJVSITILKBOT-UHFFFAOYSA-N |
Product Overview
BAS 04357868 (CAS 1164465-01-3), with molecular formula C18H22N4O2S2 and molecular weight 390.12 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
Chemical Property Profile of BAS 04357868
Property Insights of BAS 04357868
The XLogP value of 3.5 indicates that BAS 04357868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04357868. Following Lipinski's Rule of Five, BAS 04357868 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 BAS 04357868?
The CAS number of BAS 04357868 is 1164465-01-3.
What is the molecular formula of BAS 04357868?
The molecular formula of BAS 04357868 is C18H22N4O2S2.
What is the molecular weight of BAS 04357868?
The molecular weight of BAS 04357868 is 390.12 g/mol.
Where can I buy BAS 04357868?
You can request a quote for BAS 04357868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04357868?
Yes, KEHONG BIO provides custom synthesis services for BAS 04357868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.