RefChem:331751
TL;DR: RefChem:331751 (CAS 57228-49-6) is a chemical compound with molecular formula C25H33N3O8 and molecular weight 503.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2S)-3-(ethylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: CR 610, O-(2-Dimethylaminoethyl)-N-carbobenzoxy-L-tyrosyl-ethylamide oxalate, Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(ethylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-, 2-[4-[(2S)-3-(ethylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C25H33N3O8 |
|---|---|
| Molecular Weight | 503.23 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 503.22678 |
| Heavy Atoms | 36 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 57228-49-6 |
|---|---|
| SMILES | CCNC(=O)[C@H](CC1=CC=C(C=C1)OCC[NH+](C)C)NC(=O)OCC2=CC=CC=C2.C(=O)(C(=O)[O-])O |
| InChIKey | RETOBOSZYRWPLN-BOXHHOBZSA-N |
Product Overview
RefChem:331751 (CAS 57228-49-6), with molecular formula C25H33N3O8 and molecular weight 503.23 g/mol. IUPAC: 2-[4-[(2S)-3-(ethylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:331751
Property Insights of RefChem:331751
The XLogP value of -1.0 indicates that RefChem:331751 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting RefChem:331751 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:331751 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 RefChem:331751?
The CAS number of RefChem:331751 is 57228-49-6.
What is the molecular formula of RefChem:331751?
The molecular formula of RefChem:331751 is C25H33N3O8.
What is the molecular weight of RefChem:331751?
The molecular weight of RefChem:331751 is 503.23 g/mol.
Where can I buy RefChem:331751?
You can request a quote for RefChem:331751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331751?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.