Urethane deriv. 11
TL;DR: Urethane deriv. 11 (CAS 145680-06-4) is a chemical compound with molecular formula C30H45N3O5 and molecular weight 527.33594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R)-3,6-dihydro-2H-pyran-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: Urethane deriv. 11, IsoquinCON pyranyl urethane analog, 3-(3-(R)-(((2,3-Dihydro-3-pyranyloxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)-3-decahydroisoquinolinecarboxamide, Carbamic acid, (3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, 3,6-dihydro-2H-pyran-3-yl ester, (3S-(2(1R*(S*),2S*),3alpha,4abeta,8abeta))-, (3R)-3,6-dihydro-2H-pyran-3-yl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Technical Specifications
| Molecular Formula | C30H45N3O5 |
| Molecular Weight | 527.33594 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 527.33594 Da |
| Heavy Atoms | 38 |
| Complexity | 806.0 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4COCC=C4)O |
| InChIKey | LYPBPTICLJCIAA-YECVLQETSA-N |
Chemical Property Profile of Urethane deriv. 11
Property Insights of Urethane deriv. 11
The XLogP value of 4.3 indicates that Urethane deriv. 11 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urethane deriv. 11. Following Lipinski's Rule of Five, Urethane deriv. 11 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Urethane deriv. 11?
The CAS number of Urethane deriv. 11 is 145680-06-4.
What is the molecular formula of Urethane deriv. 11?
The molecular formula of Urethane deriv. 11 is C30H45N3O5.
What is the molecular weight of Urethane deriv. 11?
The molecular weight of Urethane deriv. 11 is 527.33594 g/mol.
Where can I buy Urethane deriv. 11?
You can request a quote for Urethane deriv. 11 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Urethane deriv. 11?
Yes, CoreyChem provides custom synthesis services for Urethane deriv. 11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.