RefChem:1080785
TL;DR: RefChem:1080785 (CAS 57228-61-2) is a chemical compound with molecular formula C31H45N3O8 and molecular weight 587.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2R)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate
Also Known As: CR 627, CR 832, Carbamic acid, (1-((4-(2-(diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (R)-, O-(2-Diethylaminoethyl)-N-carbobenzoxy-D-tyrosyl-di-n-propylamide oxalate, 2-[4-[(2R)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C31H45N3O8 |
|---|---|
| Molecular Weight | 587.32 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 587.3207 |
| Heavy Atoms | 42 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 57228-61-2 |
|---|---|
| SMILES | CCCN(CCC)C(=O)[C@@H](CC1=CC=C(C=C1)OCC[NH+](CC)CC)NC(=O)OCC2=CC=CC=C2.C(=O)(C(=O)[O-])O |
| InChIKey | NMMRDLUHILKXKV-HZPIKELBSA-N |
Product Overview
RefChem:1080785 (CAS 57228-61-2), with molecular formula C31H45N3O8 and molecular weight 587.32 g/mol. IUPAC: 2-[4-[(2R)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:1080785
Property Insights of RefChem:1080785
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1080785. The TPSA of 150.0 Ų indicates high polarity, suggesting RefChem:1080785 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1080785 has 3 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:1080785?
The CAS number of RefChem:1080785 is 57228-61-2.
What is the molecular formula of RefChem:1080785?
The molecular formula of RefChem:1080785 is C31H45N3O8.
What is the molecular weight of RefChem:1080785?
The molecular weight of RefChem:1080785 is 587.32 g/mol.
Where can I buy RefChem:1080785?
You can request a quote for RefChem:1080785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.