![methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate structure](/static/products/3534/353470-04-9.webp)
methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
TL;DR: methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 353470-04-9) is a chemical compound with molecular formula C22H27NO6S and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-(3,4,5-trimethoxybenzamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-[(3,4,5-trimethoxybenzene)amido]-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxylate, methyl 2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C22H27NO6S |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | 4.4718 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.1559 |
| Heavy Atoms | 30 |
| Complexity | 910.94434 |
Chemical Identifiers
| CAS Number | 353470-04-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC |
Product Overview
methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate (CAS 353470-04-9), with molecular formula C22H27NO6S and molecular weight 433.16 g/mol. IUPAC: methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Property Insights of methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
The XLogP value of 4.4718 indicates that methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate has 1 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 methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 353470-04-9.
What is the molecular formula of methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is C22H27NO6S.
What is the molecular weight of methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate is 433.16 g/mol.
Where can I buy methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[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 methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.