![[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate structure](/static/products/5685/5685-03-0.webp)
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
TL;DR: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (CAS 5685-03-0) is a chemical compound with molecular formula C21H25N3O7S2 and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
Also Known As: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate|2-[(3-Carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl N-(4-ethoxybenzene-1-sulfonyl)-beta-alaninate
| Molecular Formula | C21H25N3O7S2 |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 1.5847 |
| Topological Polar Surface Area | 153.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 495.1134 |
| Heavy Atoms | 33 |
| Complexity | 1141.3533 |
Chemical Identifiers
| CAS Number | 5685-03-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N |
Product Overview
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (CAS 5685-03-0), with molecular formula C21H25N3O7S2 and molecular weight 495.11 g/mol. IUPAC: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.
Chemical Property Profile of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
Property Insights of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
The XLogP value of 1.5847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate. The TPSA of 153.89 Ų indicates high polarity, suggesting [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate has 3 hydrogen bond donor(s) and 8 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 [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The CAS number of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is 5685-03-0.
What is the molecular formula of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The molecular formula of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is C21H25N3O7S2.
What is the molecular weight of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The molecular weight of [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is 495.11 g/mol.
Where can I buy [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
You can request a quote for [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.