Phe Aminodiol isostere
TL;DR: Phe Aminodiol isostere (CAS 162541-08-4) is a chemical compound with molecular formula C36H55N5O8 and molecular weight 685.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-[4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethoxy]phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
Also Known As: Phe Aminodiol isostere, BMS-186318 analog 18, 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(2-(3-methyl-2-oxo-1-imidazolidinyl)ethoxy)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-, (1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(2-(3-methyl-2-oxo-1-imidazolidinyl)ethoxy)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester, hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl Ester
| Molecular Formula | C36H55N5O8 |
|---|---|
| Molecular Weight | 685.41 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 685.4051 |
| Heavy Atoms | 49 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 162541-08-4 |
|---|---|
| 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)OCCN3CCN(C3=O)C)NC(=O)OC(C)(C)C)O)O |
| InChIKey | KQBXKNMHEJHPCA-SYQUUIDJSA-N |
Product Overview
Phe Aminodiol isostere (CAS 162541-08-4), with molecular formula C36H55N5O8 and molecular weight 685.41 g/mol. IUPAC: tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-[4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethoxy]phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of Phe Aminodiol isostere
Property Insights of Phe Aminodiol isostere
The XLogP value of 3.3 indicates that Phe Aminodiol isostere is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 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 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phe Aminodiol isostere?
The CAS number of Phe Aminodiol isostere is 162541-08-4.
What is the molecular formula of Phe Aminodiol isostere?
The molecular formula of Phe Aminodiol isostere is C36H55N5O8.
What is the molecular weight of Phe Aminodiol isostere?
The molecular weight of Phe Aminodiol isostere is 685.41 g/mol.
Where can I buy Phe Aminodiol isostere?
You can request a quote for Phe Aminodiol isostere directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phe Aminodiol isostere?
Yes, KEHONG BIO provides custom synthesis services for Phe Aminodiol isostere and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.