BAS 02840902
TL;DR: BAS 02840902 (CAS 333424-06-9) is a chemical compound with molecular formula C21H27N5OS and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5E)-5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
Also Known As: BAS 02840902, (E)-3-(4-(5-(4-(diethylamino)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile, F1436-0290, 3-[4-[(5E)-5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile, 3-(4-{(5E)-5-[4-(diethylamino)benzylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}piperazin-1-yl)propanenitrile
| Molecular Formula | C21H27N5OS |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 3.03438 |
| Topological Polar Surface Area | 62.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.19363 |
| Heavy Atoms | 28 |
| Complexity | 784.0091 |
Chemical Identifiers
| CAS Number | 333424-06-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)N3CCN(CC3)CCC#N |
Product Overview
BAS 02840902 (CAS 333424-06-9), with molecular formula C21H27N5OS and molecular weight 397.19 g/mol. IUPAC: 3-[4-[(5E)-5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of BAS 02840902
Property Insights of BAS 02840902
The XLogP value of 3.03438 indicates that BAS 02840902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02840902. Following Lipinski's Rule of Five, BAS 02840902 has 0 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 02840902?
The CAS number of BAS 02840902 is 333424-06-9.
What is the molecular formula of BAS 02840902?
The molecular formula of BAS 02840902 is C21H27N5OS.
What is the molecular weight of BAS 02840902?
The molecular weight of BAS 02840902 is 397.19 g/mol.
Where can I buy BAS 02840902?
You can request a quote for BAS 02840902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02840902?
Yes, KEHONG BIO provides custom synthesis services for BAS 02840902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.