BAS 00213500
TL;DR: BAS 00213500 (CAS 306317-71-5) is a chemical compound with molecular formula C27H24N4O4S2 and molecular weight 532.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4E)-4-[(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate
Also Known As: BAS 00213500, ethyl {4-[3-allyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate, ethyl {(4E)-4-[(5Z)-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl}acetate, ethyl 2-[(4E)-4-[(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate, ethyl 2-((E)-4-((Z)-3-allyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate
| Molecular Formula | C27H24N4O4S2 |
|---|---|
| Molecular Weight | 532.12 g/mol |
| LogP | 2.9103 |
| Topological Polar Surface Area | 84.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.1239 |
| Heavy Atoms | 37 |
| Complexity | 1621.6616 |
Chemical Identifiers
| CAS Number | 306317-71-5 |
|---|---|
| SMILES | CCOC(=O)CC\1=NN(C(=O)/C1=C/2\N(C(=O)/C(=C/3\N(C4=CC=CC=C4S3)C)/S2)CC=C)C5=CC=CC=C5 |
Product Overview
BAS 00213500 (CAS 306317-71-5), with molecular formula C27H24N4O4S2 and molecular weight 532.12 g/mol. IUPAC: ethyl 2-[(4E)-4-[(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate.
Chemical Property Profile of BAS 00213500
Property Insights of BAS 00213500
The XLogP value of 2.9103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00213500. The TPSA of 84.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00213500. Following Lipinski's Rule of Five, BAS 00213500 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 00213500?
The CAS number of BAS 00213500 is 306317-71-5.
What is the molecular formula of BAS 00213500?
The molecular formula of BAS 00213500 is C27H24N4O4S2.
What is the molecular weight of BAS 00213500?
The molecular weight of BAS 00213500 is 532.12 g/mol.
Where can I buy BAS 00213500?
You can request a quote for BAS 00213500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00213500?
Yes, KEHONG BIO provides custom synthesis services for BAS 00213500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.