![ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate structure](/static/products/6814/681439-01-0.webp)
ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
TL;DR: ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS 681439-01-0) is a chemical compound with molecular formula C26H33N5O5S2 and molecular weight 559.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
Also Known As: ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-[4-({3-cyano-5,5,7,7-tetramethyl-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl}carbamoyl)benzenesulfonyl]piperazine-1-carboxylate, ethyl 4-[4-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate, ethyl 4-[p-(N-3-cyano-5,5,7,7-tetramethyl-1-thia-6-aza-4,5,6,7-tetrahydro-2-indenylcarbamoyl)phenylsulfonyl]-1-piperazinecarboxylate
| Molecular Formula | C26H33N5O5S2 |
|---|---|
| Molecular Weight | 559.19 g/mol |
| LogP | 3.49428 |
| Topological Polar Surface Area | 131.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 559.1923 |
| Heavy Atoms | 38 |
| Complexity | 1382.2109 |
Chemical Identifiers
| CAS Number | 681439-01-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)C(NC(C4)(C)C)(C)C)C#N |
Product Overview
ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS 681439-01-0), with molecular formula C26H33N5O5S2 and molecular weight 559.19 g/mol. IUPAC: ethyl 4-[4-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
Property Insights of ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate
The XLogP value of 3.49428 indicates that ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate has 2 hydrogen bond donor(s) and 8 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-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is 681439-01-0.
What is the molecular formula of ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is C26H33N5O5S2.
What is the molecular weight of ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is 559.19 g/mol.
Where can I buy ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)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-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((4-((3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.