CR 612
TL;DR: CR 612 (CAS 57228-51-0) is a chemical compound with molecular formula C28H34ClN3O4 and molecular weight 511.2238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(2S)-3-(benzylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium chloride
Also Known As: CR 612, O-(2-Dimethylaminoethyl)-N-carbobenzoxy-L-tyrosyl-benzylamide hydrochloride, Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-oxo-2-(benzylamino)ethyl)-, benzyl ester, hydrochloride, (S)-, 2-[4-[(2S)-3-(benzylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium chloride
Technical Specifications
| Molecular Formula | C28H34ClN3O4 |
| Molecular Weight | 511.2238 g/mol |
| XLogP | -0.63 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 511.2238 Da |
| Heavy Atoms | 36 |
| Complexity | 609.0 |
| SMILES | C[NH+](C)CCOC1=CC=C(C=C1)C[C@@H](C(=O)NCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3.[Cl-] |
| InChIKey | ASPPJGIQPFVUBM-SNYZSRNZSA-N |
Chemical Property Profile of CR 612
Property Insights of CR 612
The XLogP value of -0.63 indicates that CR 612 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for CR 612. Following Lipinski's Rule of Five, CR 612 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of CR 612?
The CAS number of CR 612 is 57228-51-0.
What is the molecular formula of CR 612?
The molecular formula of CR 612 is C28H34ClN3O4.
What is the molecular weight of CR 612?
The molecular weight of CR 612 is 511.2238 g/mol.
Where can I buy CR 612?
You can request a quote for CR 612 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CR 612?
Yes, CoreyChem provides custom synthesis services for CR 612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.