Ro 31-8588
TL;DR: Ro 31-8588 (CAS 141979-04-6) is a chemical compound with molecular formula C33H56N4O5 and molecular weight 588.42505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate
Also Known As: Ro 31-8588, Ro-31-8588, Carbamic acid, (1-(cyclohexylmethyl)-2-hydroxy-5-methyl-4-(((2-methyl-1-(((2-(2-pyridinyl)ethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*(1R*,2R*)))-, tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate, (2R,4S,5S)-5-{[tert-Butoxy(hydroxy)methylidene]amino}-6-cyclohexyl-4-hydroxy-N-(1-hydroxy-3-methyl-1-{[2-(pyridin-2-yl)ethyl]imino}pentan-2-yl)-2-(propan-2-yl)hexanimidic acid
Technical Specifications
| Molecular Formula | C33H56N4O5 |
| Molecular Weight | 588.42505 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 588.42505 Da |
| Heavy Atoms | 42 |
| Complexity | 824.0 |
| SMILES | CCC(C)C(C(=O)NCCC1=CC=CC=N1)NC(=O)[C@H](C[C@@H]([C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)O)C(C)C |
| InChIKey | PGNGZQQIESIRCV-UQPQYDPKSA-N |
Chemical Property Profile of Ro 31-8588
Property Insights of Ro 31-8588
The XLogP value of 6.4 indicates that Ro 31-8588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 31-8588. Following Lipinski's Rule of Five, Ro 31-8588 has 4 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 Ro 31-8588?
The CAS number of Ro 31-8588 is 141979-04-6.
What is the molecular formula of Ro 31-8588?
The molecular formula of Ro 31-8588 is C33H56N4O5.
What is the molecular weight of Ro 31-8588?
The molecular weight of Ro 31-8588 is 588.42505 g/mol.
Where can I buy Ro 31-8588?
You can request a quote for Ro 31-8588 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 31-8588?
Yes, CoreyChem provides custom synthesis services for Ro 31-8588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.