![ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE structure](/static/products/4195/419559-87-8.webp)
ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE
TL;DR: ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE (CAS 419559-87-8) is a chemical compound with molecular formula C22H27NO5S and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, ethyl 2-{[(3,4-dimethoxyphenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, Ethyl 2-(3,4-dimethoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, ethyl 2-[(3,4-dimethoxyphenyl)carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[2, 1-b]thiophene-3-carboxylate
| Molecular Formula | C22H27NO5S |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.8533 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.16098 |
| Heavy Atoms | 29 |
| Complexity | 889.56805 |
Chemical Identifiers
| CAS Number | 419559-87-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE (CAS 419559-87-8), with molecular formula C22H27NO5S and molecular weight 417.16 g/mol. IUPAC: ethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE
Property Insights of ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE
The XLogP value of 4.8533 indicates that ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE has 1 hydrogen bond donor(s) and 6 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 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE?
The CAS number of ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE is 419559-87-8.
What is the molecular formula of ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE?
The molecular formula of ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE is C22H27NO5S.
What is the molecular weight of ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE?
The molecular weight of ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE is 417.16 g/mol.
Where can I buy ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE?
You can request a quote for ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-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-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 2-(3,4-DIMETHOXYBENZAMIDO)-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.