RefChem:331749
TL;DR: RefChem:331749 (CAS 57228-40-7) is a chemical compound with molecular formula C29H41N3O8 and molecular weight 559.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Also Known As: CR 603, O-(2-Dimethylaminoethyl)-N-carbobenzoxy-L-tyrosyl-di-n-propylamide oxalate, Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-, 2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C29H41N3O8 |
|---|---|
| Molecular Weight | 559.29 g/mol |
| LogP | 0.52 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 559.28937 |
| Heavy Atoms | 40 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 57228-40-7 |
|---|---|
| SMILES | CCCN(CCC)C(=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 | DBSZXTBOMPWHEO-UQIIZPHYSA-N |
Product Overview
RefChem:331749 (CAS 57228-40-7), with molecular formula C29H41N3O8 and molecular weight 559.29 g/mol. IUPAC: 2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:331749
Property Insights of RefChem:331749
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331749. The TPSA of 150.0 Ų indicates high polarity, suggesting RefChem:331749 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:331749 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:331749?
The CAS number of RefChem:331749 is 57228-40-7.
What is the molecular formula of RefChem:331749?
The molecular formula of RefChem:331749 is C29H41N3O8.
What is the molecular weight of RefChem:331749?
The molecular weight of RefChem:331749 is 559.29 g/mol.
Where can I buy RefChem:331749?
You can request a quote for RefChem:331749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331749?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.