methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 1009185-29-8) is a chemical compound with molecular formula C29H41N3O4S and molecular weight 527.2818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[[2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[({1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate, methyl 2-[[2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C29H41N3O4S |
| Molecular Weight | 527.2818 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.2818 Da |
| Heavy Atoms | 37 |
| Complexity | 787.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=C(C(=C(S4)C)C)C(=O)OC)O |
| InChIKey | BGJBHNMVORQADH-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 5.7 indicates that methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-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-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate is 1009185-29-8.
What is the molecular formula of methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate is C29H41N3O4S.
What is the molecular weight of methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate is 527.2818 g/mol.
Where can I buy methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 2-(2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.