![ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate structure](/static/products/6251/6251-25-8.webp)
ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
TL;DR: ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate (CAS 6251-25-8) is a chemical compound with molecular formula C29H33N3O8S3 and molecular weight 647.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
Also Known As: ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate, Ethyl (2E)-2-{[(2-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-2-oxoethanesulfonyl)acetyl]imino}-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C29H33N3O8S3 |
|---|---|
| Molecular Weight | 647.14 g/mol |
| LogP | 4.0534 |
| Topological Polar Surface Area | 150.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 647.143 |
| Heavy Atoms | 43 |
| Complexity | 1747.5875 |
Chemical Identifiers
| CAS Number | 6251-25-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OCC)S2)CC=C |
Product Overview
ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate (CAS 6251-25-8), with molecular formula C29H33N3O8S3 and molecular weight 647.14 g/mol. IUPAC: ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
Property Insights of ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
The XLogP value of 4.0534 indicates that ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.2 Ų indicates high polarity, suggesting ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
The CAS number of ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate is 6251-25-8.
What is the molecular formula of ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
The molecular formula of ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate is C29H33N3O8S3.
What is the molecular weight of ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
The molecular weight of ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate is 647.14 g/mol.
Where can I buy ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
You can request a quote for ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-[2-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfonylacetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.