BAS 00126439
TL;DR: BAS 00126439 (CAS 299907-89-4) is a chemical compound with molecular formula C21H14ClNO2S2 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-benzyl-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00126439, (5E)-3-benzyl-5-{[5-(4-chlorophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one, (E)-3-benzyl-5-((5-(4-chlorophenyl)furan-2-yl)methylene)-2-thioxothiazolidin-4-one, 3-Benzyl-5-[5-(4-chloro-phenyl)-furan-2-ylmethylene]-2-thioxo-thiazolidin-4-one, 5-{[5-(4-chlorophenyl)(2-furyl)]methylene}-3-benzyl-2-thioxo-1,3-thiazolidin-4 -one
| Molecular Formula | C21H14ClNO2S2 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 6.0014 |
| Topological Polar Surface Area | 33.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.01544 |
| Heavy Atoms | 27 |
| Complexity | 1025.8499 |
Chemical Identifiers
| CAS Number | 299907-89-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)Cl)/SC2=S |
Product Overview
BAS 00126439 (CAS 299907-89-4), with molecular formula C21H14ClNO2S2 and molecular weight 411.02 g/mol. IUPAC: (5E)-3-benzyl-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00126439
Property Insights of BAS 00126439
The XLogP value of 6.0014 indicates that BAS 00126439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.45 Ų, BAS 00126439 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00126439 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00126439?
The CAS number of BAS 00126439 is 299907-89-4.
What is the molecular formula of BAS 00126439?
The molecular formula of BAS 00126439 is C21H14ClNO2S2.
What is the molecular weight of BAS 00126439?
The molecular weight of BAS 00126439 is 411.02 g/mol.
Where can I buy BAS 00126439?
You can request a quote for BAS 00126439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126439?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.