Phe Aminodiol isostere
TL;DR: Phe Aminodiol isostere (CAS 162538-25-2) is a chemical compound with molecular formula C29H44N4O6 and molecular weight 544.3261 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-pyridin-4-ylbutan-2-yl]carbamate
Also Known As: Phe Aminodiol isostere, BMS-186318 analog 2, 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-(phenylmethyl)-9-(4-pyridinylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-, (1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-2-hydroxy-1-(4-pyridinylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester, [1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(4-pyridinylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester
Technical Specifications
| Molecular Formula | C29H44N4O6 |
| Molecular Weight | 544.3261 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 544.3261 Da |
| Heavy Atoms | 39 |
| Complexity | 726.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=NC=C2)NC(=O)OC(C)(C)C)O)O |
| InChIKey | HFYNRTHTPCWYOT-CXSMSNRLSA-N |
Chemical Property Profile of Phe Aminodiol isostere
Property Insights of Phe Aminodiol isostere
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phe Aminodiol isostere. The TPSA of 142.0 Ų indicates high polarity, suggesting Phe Aminodiol isostere may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phe Aminodiol isostere has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phe Aminodiol isostere?
The CAS number of Phe Aminodiol isostere is 162538-25-2.
What is the molecular formula of Phe Aminodiol isostere?
The molecular formula of Phe Aminodiol isostere is C29H44N4O6.
What is the molecular weight of Phe Aminodiol isostere?
The molecular weight of Phe Aminodiol isostere is 544.3261 g/mol.
Where can I buy Phe Aminodiol isostere?
You can request a quote for Phe Aminodiol isostere directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phe Aminodiol isostere?
Yes, CoreyChem provides custom synthesis services for Phe Aminodiol isostere and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.