![ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate structure](/static/products/851/851716-81-9.png)
ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate
TL;DR: ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate (CAS 851716-81-9) is a chemical compound with molecular formula C20H26N4O5S2 and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate
Also Known As: ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate, (Z)-ethyl 4-(2-((2-((6-methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-[2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate, ethyl 4-(2-{2-[(Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylideneamino]-2-oxoethylthio}acetyl)-1-piperazinecarboxylate, ethyl 4-{[(2-{[(2Z)-6-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl)thio]acetyl}piperazine-1-carboxylate
| Molecular Formula | C20H26N4O5S2 |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 1.7096 |
| Topological Polar Surface Area | 93.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.13446 |
| Heavy Atoms | 31 |
| Complexity | 1024.2369 |
Chemical Identifiers
| CAS Number | 851716-81-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)C |
Product Overview
ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate (CAS 851716-81-9), with molecular formula C20H26N4O5S2 and molecular weight 466.13 g/mol. IUPAC: ethyl 4-[2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate
Property Insights of ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate
The XLogP value of 1.7096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate. The TPSA of 93.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate?
The CAS number of ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate is 851716-81-9.
What is the molecular formula of ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate?
The molecular formula of ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate is C20H26N4O5S2.
What is the molecular weight of ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate?
The molecular weight of ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate is 466.13 g/mol.
Where can I buy ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate?
You can request a quote for ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}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-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{2-[({[(2Z)-6-methoxy-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]carbamoyl}methyl)sulfanyl]acetyl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.