Hydroxyethylamine deriv.
TL;DR: Hydroxyethylamine deriv. (CAS 127852-91-9) is a chemical compound with molecular formula C31H42N4O7 and molecular weight 582.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-1-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate
Also Known As: Hydroxyethylamine deriv., Z-Asn-Phe-psi (CH(OH)CH2N)Pro-OtBu, Z-Asn-Phe-psi [CH(OH)CH2N]Pro-OtBu, tert-Butyl 1-(3-((2S)-3-carbamoyl-2-((phenylmethoxy)carbonylamino)propanoylamino)(2S,3S)-2-hydroxy-4-phenylbutyl)pyrrolidine-2-carboxylate, Benzyoxycarbonyl-Asn-Phe-[S]-[CH(OH)CH2N]Pro-Otert-butyl
| Molecular Formula | C31H42N4O7 |
|---|---|
| Molecular Weight | 582.31 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 582.30536 |
| Heavy Atoms | 42 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 127852-91-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | UYYUHWSVKOGLPA-CQJMVLFOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxyethylamine deriv. (CAS 127852-91-9), with molecular formula C31H42N4O7 and molecular weight 582.31 g/mol. IUPAC: tert-butyl (2S)-1-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of Hydroxyethylamine deriv.
Property Insights of Hydroxyethylamine deriv.
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyethylamine deriv.. The TPSA of 160.0 Ų indicates high polarity, suggesting Hydroxyethylamine deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxyethylamine deriv. has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroxyethylamine deriv.?
The CAS number of Hydroxyethylamine deriv. is 127852-91-9.
What is the molecular formula of Hydroxyethylamine deriv.?
The molecular formula of Hydroxyethylamine deriv. is C31H42N4O7.
What is the molecular weight of Hydroxyethylamine deriv.?
The molecular weight of Hydroxyethylamine deriv. is 582.31 g/mol.
Where can I buy Hydroxyethylamine deriv.?
You can request a quote for Hydroxyethylamine deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyethylamine deriv.?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyethylamine deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.