Ro31-8344
TL;DR: Ro31-8344 (CAS 129037-04-3) is a chemical compound with molecular formula C35H43N5O6 and molecular weight 629.32135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-2,3-dihydroindol-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Also Known As: Ro31-8344, Ro 31-8344, Carbamic acid, ((1S)-3-amino-1-((((1S,2R)-3-((2S)-2-(((1,1-dimethylethyl)amino)carbonyl)-2,3-dihydro-1H-indol-1-yl)-2-hydroxy-1-(phenylmethyl)propyl)amino)carbonyl)-3-oxopropyl)-, phenylmethyl ester, benzyl[(1s)-3-amino-1-({(1s,2r)-1-benzyl-3-[(2s)-2-(tert-butylcarbamoyl)-2,3-dihydro-1h-indol-1-yl]-2-hydroxypropyl}carbamoyl)-3-oxopropyl]carbamate(non-preferred name), Benzyl [(2S)-4-amino-1-({(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-2,3-dihydro-1H-indol-1-yl]-3-hydroxy-1-phenylbutan-2-yl}amino)-1,4-dioxobutan-2-yl]carbamate
Technical Specifications
| Molecular Formula | C35H43N5O6 |
| Molecular Weight | 629.32135 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 629.32135 Da |
| Heavy Atoms | 46 |
| Complexity | 1020.0 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1CC2=CC=CC=C2N1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)OCC4=CC=CC=C4)O |
| InChIKey | MXCOYRUYDHQOKZ-ZSEJKAPFSA-N |
Chemical Property Profile of Ro31-8344
Property Insights of Ro31-8344
The XLogP value of 3.3 indicates that Ro31-8344 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting Ro31-8344 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ro31-8344 has 5 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 Ro31-8344?
The CAS number of Ro31-8344 is 129037-04-3.
What is the molecular formula of Ro31-8344?
The molecular formula of Ro31-8344 is C35H43N5O6.
What is the molecular weight of Ro31-8344?
The molecular weight of Ro31-8344 is 629.32135 g/mol.
Where can I buy Ro31-8344?
You can request a quote for Ro31-8344 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro31-8344?
Yes, CoreyChem provides custom synthesis services for Ro31-8344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.