![methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/1022/1022301-25-2.webp)
methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 1022301-25-2) is a chemical compound with molecular formula C28H36N2O5S and molecular weight 512.2345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[2-[4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[2-[4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-{2-[6-hydroxy-2-(4-methoxyphenyl)-3-azabicyclo[4.4.0]dec-3-yl]acetyla mino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C28H36N2O5S |
| Molecular Weight | 512.2345 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.2345 Da |
| Heavy Atoms | 36 |
| Complexity | 790.0 |
| SMILES | COC1=CC=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC)O |
| InChIKey | RHERRZJDVNWUSM-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 5.3 indicates that methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}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 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}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
What is the CAS number of methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 1022301-25-2.
What is the molecular formula of methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C28H36N2O5S.
What is the molecular weight of methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 512.2345 g/mol.
Where can I buy methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 2-({[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.