indinavir
TL;DR: indinavir (CAS 157810-81-6) is a chemical compound with molecular formula C36H49N5O8S and molecular weight 711.3302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide;sulfuric acid
Also Known As: indinavir, Indinavir sulfate, (2S)-1-[(2S)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide; sulfuric acid, (2s)-1-[(2s)-4-benzyl-2-hydroxy-5-{[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino}-5-oxopentyl]-n-(2-methyl-2-propanyl)-4-(3-pyridinylmethyl)-2-piperazinecarboxamide sulfate(1:1)(non-preferred name)
Technical Specifications
| Molecular Formula | C36H49N5O8S |
| Molecular Weight | 711.3302 g/mol |
| XLogP | 2.21 |
| Topological Polar Surface Area (TPSA) | 201.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 711.3302 Da |
| Heavy Atoms | 50 |
| Complexity | 1030.0 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](CC(CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O |
| InChIKey | NUBQKPWHXMGDLP-MWKASFQPSA-N |
Chemical Property Profile of indinavir
Property Insights of indinavir
The XLogP value of 2.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for indinavir. The TPSA of 201.0 Ų indicates high polarity, suggesting indinavir may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, indinavir has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of indinavir?
The CAS number of indinavir is 157810-81-6.
What is the molecular formula of indinavir?
The molecular formula of indinavir is C36H49N5O8S.
What is the molecular weight of indinavir?
The molecular weight of indinavir is 711.3302 g/mol.
Where can I buy indinavir?
You can request a quote for indinavir directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for indinavir?
Yes, CoreyChem provides custom synthesis services for indinavir and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.