IsoquinCON thienyl urethane analog
TL;DR: IsoquinCON thienyl urethane analog (CAS 147977-21-7) is a chemical compound with molecular formula C32H51N3O6S and molecular weight 605.34985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3S)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Also Known As: IsoquinCON thienyl urethane analog, Thienopyridine thienyl urethane deriv. 11, Carbamic acid, ((1S,2R)-3-((3S,4aS,8aS)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, (2S,3S)-tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl ester, L 735489, (2S,3S)-1,1-Dioxo-2-(propan-2-yl)-1lambda~6~-thiolan-3-yl {(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
Technical Specifications
| Molecular Formula | C32H51N3O6S |
| Molecular Weight | 605.34985 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 605.34985 Da |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
| SMILES | CC(C)[C@H]1[C@H](CCS1(=O)=O)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O |
| InChIKey | DYRQCFKJNPXYSL-QXWHLYFESA-N |
Chemical Property Profile of IsoquinCON thienyl urethane analog
Property Insights of IsoquinCON thienyl urethane analog
The XLogP value of 5.1 indicates that IsoquinCON thienyl urethane analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IsoquinCON thienyl urethane analog. Following Lipinski's Rule of Five, IsoquinCON thienyl urethane analog has 3 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 IsoquinCON thienyl urethane analog?
The CAS number of IsoquinCON thienyl urethane analog is 147977-21-7.
What is the molecular formula of IsoquinCON thienyl urethane analog?
The molecular formula of IsoquinCON thienyl urethane analog is C32H51N3O6S.
What is the molecular weight of IsoquinCON thienyl urethane analog?
The molecular weight of IsoquinCON thienyl urethane analog is 605.34985 g/mol.
Where can I buy IsoquinCON thienyl urethane analog?
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Does CoreyChem offer custom synthesis for IsoquinCON thienyl urethane analog?
Yes, CoreyChem provides custom synthesis services for IsoquinCON thienyl urethane analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.