Bopta
TL;DR: Bopta (CAS 113786-33-7) is a chemical compound with molecular formula C22H31N3O11 and molecular weight 513.19586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
钆贝葡甲胺
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoic acid
Also Known As: Gadobenate dimeglumine, BOPTA, 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoic acid, 4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oic acid, 8-Carboxy-8-(benzyloxymethyl)-1,4,7-triazaoctane-1,1,4,7-tetraacetic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H31N3O11 |
| Molecular Weight | 513.19586 g/mol |
| XLogP | -7.1 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 20 |
| Exact Mass | 513.19586 Da |
| Heavy Atoms | 36 |
| Complexity | 727.0 |
| SMILES | C1=CC=C(C=C1)COCC(C(=O)O)N(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | OEIYJWYTUDFZBH-UHFFFAOYSA-N |
Chemical Property Profile of Bopta
Property Insights of Bopta
The XLogP value of -7.1 indicates that Bopta is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting Bopta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bopta has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bopta?
The CAS number of Bopta is 113786-33-7.
What is the molecular formula of Bopta?
The molecular formula of Bopta is C22H31N3O11.
What is the molecular weight of Bopta?
The molecular weight of Bopta is 513.19586 g/mol.
Where can I buy Bopta?
You can request a quote for Bopta directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bopta?
Yes, CoreyChem provides custom synthesis services for Bopta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.