Ro 43-5054
TL;DR: Ro 43-5054 (CAS 138107-58-1) is a chemical compound with molecular formula C24H27N5O7 and molecular weight 497.19104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
Also Known As: Ro 43-5054, Ro 435054, Ro-43-5054, p-Amidinobenzoyl-beta-alanyl-aspartyl-phenylalanine, N-(4-Carbamimidoylbenzoyl)-Beta-Alanyl-L-Alpha-Aspartyl-L-Phenylalanine
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H27N5O7 |
| Molecular Weight | 497.19104 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 212.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 497.19104 Da |
| Heavy Atoms | 36 |
| Complexity | 820.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N |
| InChIKey | XPXOBWWMCFKOKQ-ROUUACIJSA-N |
Chemical Property Profile of Ro 43-5054
Property Insights of Ro 43-5054
The XLogP value of -0.1 indicates that Ro 43-5054 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 212.0 Ų indicates high polarity, suggesting Ro 43-5054 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ro 43-5054 has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ro 43-5054?
The CAS number of Ro 43-5054 is 138107-58-1.
What is the molecular formula of Ro 43-5054?
The molecular formula of Ro 43-5054 is C24H27N5O7.
What is the molecular weight of Ro 43-5054?
The molecular weight of Ro 43-5054 is 497.19104 g/mol.
Where can I buy Ro 43-5054?
You can request a quote for Ro 43-5054 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ro 43-5054?
Yes, CoreyChem provides custom synthesis services for Ro 43-5054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.