![ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate structure](/static/products/864/864925-80-4.png)
ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
TL;DR: ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate (CAS 864925-80-4) is a chemical compound with molecular formula C21H20N4O6S and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-carbamoyl-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, F1298-0040, ethyl 3-carbamoyl-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-carbamoyl-2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C21H20N4O6S |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 1.5963 |
| Topological Polar Surface Area | 139.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.11035 |
| Heavy Atoms | 32 |
| Complexity | 1122.1538 |
Chemical Identifiers
| CAS Number | 864925-80-4 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate (CAS 864925-80-4), with molecular formula C21H20N4O6S and molecular weight 456.11 g/mol. IUPAC: ethyl 3-carbamoyl-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
Property Insights of ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
The XLogP value of 1.5963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate. The TPSA of 139.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate. Following Lipinski's Rule of Five, ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate has 2 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 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
The CAS number of ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate is 864925-80-4.
What is the molecular formula of ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
The molecular formula of ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate is C21H20N4O6S.
What is the molecular weight of ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
The molecular weight of ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate is 456.11 g/mol.
Where can I buy ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
You can request a quote for ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-carbamoyl-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.