BAS 00470913
TL;DR: BAS 00470913 (CAS 332413-60-2) is a chemical compound with molecular formula C30H23ClN4O4S2 and molecular weight 602.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4E)-4-[(5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate
Also Known As: BAS 00470913, ethyl {4-[5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate, ethyl {(4E)-4-[(5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate, ethyl 2-[(4E)-4-[(5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate, ethyl 2-((E)-4-((Z)-5-(5-chloro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxo-3-phenylthiazolidin-2-ylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate
| Molecular Formula | C30H23ClN4O4S2 |
|---|---|
| Molecular Weight | 602.08 g/mol |
| LogP | 4.3669 |
| Topological Polar Surface Area | 84.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 602.0849 |
| Heavy Atoms | 41 |
| Complexity | 1902.0437 |
Chemical Identifiers
| CAS Number | 332413-60-2 |
|---|---|
| SMILES | CCOC(=O)CC\1=NN(C(=O)/C1=C/2\N(C(=O)/C(=C/3\N(C4=C(S3)C=CC(=C4)Cl)C)/S2)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
BAS 00470913 (CAS 332413-60-2), with molecular formula C30H23ClN4O4S2 and molecular weight 602.08 g/mol. IUPAC: ethyl 2-[(4E)-4-[(5Z)-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate.
Chemical Property Profile of BAS 00470913
Property Insights of BAS 00470913
The XLogP value of 4.3669 indicates that BAS 00470913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00470913. Following Lipinski's Rule of Five, BAS 00470913 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00470913?
The CAS number of BAS 00470913 is 332413-60-2.
What is the molecular formula of BAS 00470913?
The molecular formula of BAS 00470913 is C30H23ClN4O4S2.
What is the molecular weight of BAS 00470913?
The molecular weight of BAS 00470913 is 602.08 g/mol.
Where can I buy BAS 00470913?
You can request a quote for BAS 00470913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00470913?
Yes, KEHONG BIO provides custom synthesis services for BAS 00470913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.