![ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate structure](/static/products/5338/533869-05-5.webp)
ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate
TL;DR: ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate (CAS 533869-05-5) is a chemical compound with molecular formula C25H30N4O6S2 and molecular weight 546.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate, F0557-0161, ethyl 4-[4-[(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate, (Z)-ethyl 4-((4-((4-ethoxy-3-ethylbenzo[d]thiazol-2(3H)-ylidene)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
| Molecular Formula | C25H30N4O6S2 |
|---|---|
| Molecular Weight | 546.16 g/mol |
| LogP | 3.3253 |
| Topological Polar Surface Area | 110.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.1607 |
| Heavy Atoms | 37 |
| Complexity | 1452.5635 |
Chemical Identifiers
| CAS Number | 533869-05-5 |
|---|---|
| SMILES | CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC)OCC |
Product Overview
ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate (CAS 533869-05-5), with molecular formula C25H30N4O6S2 and molecular weight 546.16 g/mol. IUPAC: ethyl 4-[4-[(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate
Property Insights of ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate
The XLogP value of 3.3253 indicates that ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate is 533869-05-5.
What is the molecular formula of ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate is C25H30N4O6S2.
What is the molecular weight of ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate is 546.16 g/mol.
Where can I buy ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-{[(2Z)-4-ethoxy-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}benzenesulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.