Phe Aminodiol isostere
TL;DR: Phe Aminodiol isostere (CAS 162539-58-4) is a chemical compound with molecular formula C37H51N3O7 and molecular weight 649.3727 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-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
Also Known As: Phe Aminodiol isostere, BMS-186318 analog 24, 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(phenylmethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-, 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-[[4-(phenylmethoxy)phenyl]methyl]-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-, tert-Butyl [(2S,3R)-4-({(2R,3S)-4-[4-(benzyloxy)phenyl]-3-[(tert-butoxycarbonyl)amino]-2-hydroxybutyl}amino)-3-hydroxy-1-phenylbutan-2-yl]carbamate
Technical Specifications
| Molecular Formula | C37H51N3O7 |
| Molecular Weight | 649.3727 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 649.3727 Da |
| Heavy Atoms | 47 |
| Complexity | 901.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)O |
| InChIKey | VERMKZUVUYNLHI-UYEZAFAQSA-N |
Chemical Property Profile of Phe Aminodiol isostere
Property Insights of Phe Aminodiol isostere
The XLogP value of 5.5 indicates that Phe Aminodiol isostere is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phe Aminodiol isostere. 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 162539-58-4.
What is the molecular formula of Phe Aminodiol isostere?
The molecular formula of Phe Aminodiol isostere is C37H51N3O7.
What is the molecular weight of Phe Aminodiol isostere?
The molecular weight of Phe Aminodiol isostere is 649.3727 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.