Ro 26-4550 trifluoroacetate
TL;DR: Ro 26-4550 trifluoroacetate (CAS 1217448-66-2) is a chemical compound with molecular formula C26H30N4O3 and molecular weight 446.23178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate
Also Known As: Ro 26-4550 trifluoroacetate, Ro26-4550, 1m48, Ro-26-4550, 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER
Technical Specifications
| Molecular Formula | C26H30N4O3 |
| Molecular Weight | 446.23178 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 446.23178 Da |
| Heavy Atoms | 33 |
| Complexity | 741.0 |
| SMILES | COC(=O)[C@H](CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)C[C@H]3CCCN(C3)C(=N)N |
| InChIKey | MRNGXYMKYHNMLV-PKTZIBPZSA-N |
Chemical Property Profile of Ro 26-4550 trifluoroacetate
Property Insights of Ro 26-4550 trifluoroacetate
The XLogP value of 3.2 indicates that Ro 26-4550 trifluoroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 26-4550 trifluoroacetate. Following Lipinski's Rule of Five, Ro 26-4550 trifluoroacetate has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ro 26-4550 trifluoroacetate?
The CAS number of Ro 26-4550 trifluoroacetate is 1217448-66-2.
What is the molecular formula of Ro 26-4550 trifluoroacetate?
The molecular formula of Ro 26-4550 trifluoroacetate is C26H30N4O3.
What is the molecular weight of Ro 26-4550 trifluoroacetate?
The molecular weight of Ro 26-4550 trifluoroacetate is 446.23178 g/mol.
Where can I buy Ro 26-4550 trifluoroacetate?
You can request a quote for Ro 26-4550 trifluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 26-4550 trifluoroacetate?
Yes, CoreyChem provides custom synthesis services for Ro 26-4550 trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.