![2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate structure](/static/products/6829/6829-99-8.webp)
2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate
TL;DR: 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate (CAS 6829-99-8) is a chemical compound with molecular formula C26H18ClN2O6S2- and molecular weight 553.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[5-[(6-ethoxycarbonyl-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]furan-2-yl]benzoate
Also Known As: 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate, 2-chloro-5-[5-[(6-ethoxycarbonyl-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]furan-2-yl]benzoate
| Molecular Formula | C26H18ClN2O6S2- |
|---|---|
| Molecular Weight | 553.03 g/mol |
| LogP | 3.1367 |
| Topological Polar Surface Area | 113.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 553.0295 |
| Heavy Atoms | 37 |
| Complexity | 1743.5897 |
Chemical Identifiers
| CAS Number | 6829-99-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)[O-])S2)C |
Product Overview
2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate (CAS 6829-99-8), with molecular formula C26H18ClN2O6S2- and molecular weight 553.03 g/mol. IUPAC: 2-chloro-5-[5-[(6-ethoxycarbonyl-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]furan-2-yl]benzoate.
Chemical Property Profile of 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate
Property Insights of 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate
The XLogP value of 3.1367 indicates that 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate. Following Lipinski's Rule of Five, 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
The CAS number of 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate is 6829-99-8.
What is the molecular formula of 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
The molecular formula of 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate is C26H18ClN2O6S2-.
What is the molecular weight of 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
The molecular weight of 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate is 553.03 g/mol.
Where can I buy 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
You can request a quote for 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(5-{[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.