![ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/6748/674801-05-9.webp)
ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 674801-05-9) is a chemical compound with molecular formula C25H29N3O3S2 and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{6-amino-4-thia-2-azatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,5,7-tetraene-5-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl2-{6-amino-4-thia-2-azatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,5,7-tetraene-5-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C25H29N3O3S2 |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 5.9068 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.16504 |
| Heavy Atoms | 33 |
| Complexity | 1227.6733 |
Chemical Identifiers
| CAS Number | 674801-05-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(S3)N=C5CCCCCCC5=C4)N |
Product Overview
ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 674801-05-9), with molecular formula C25H29N3O3S2 and molecular weight 483.17 g/mol. IUPAC: ethyl 2-[(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.9068 indicates that ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-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-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-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-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 674801-05-9.
What is the molecular formula of ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C25H29N3O3S2.
What is the molecular weight of ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 483.17 g/mol.
Where can I buy ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-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-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.