![ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/828/828280-99-5.png)
ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 828280-99-5) is a chemical compound with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H25N3O3S2 |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 5.11064 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.13373 |
| Heavy Atoms | 30 |
| Complexity | 1162.5344 |
Chemical Identifiers
| CAS Number | 828280-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C4=C(S3)N=C(C=C4C)C)N |
Product Overview
ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 828280-99-5), with molecular formula C22H25N3O3S2 and molecular weight 443.13 g/mol. IUPAC: ethyl 2-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.11064 indicates that ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 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-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 828280-99-5.
What is the molecular formula of ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C22H25N3O3S2.
What is the molecular weight of ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 443.13 g/mol.
Where can I buy ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.