Bab-dota
TL;DR: Bab-dota (CAS 126753-62-6) is a chemical compound with molecular formula C25H36BrN5O9 and molecular weight 629.1696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Also Known As: Bab-dota, 6-BAD, 2-[(p-bromoacetamido)benzyl]DOTA, 4-Bromoacetamidobenzyl-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid, 2-(4-(Bromoacetamido)benzyl)-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid
Technical Specifications
| Molecular Formula | C25H36BrN5O9 |
| Molecular Weight | 629.1696 g/mol |
| XLogP | -8.6 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 629.1696 Da |
| Heavy Atoms | 40 |
| Complexity | 872.0 |
| SMILES | C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)NC(=O)CBr)CC(=O)O)CC(=O)O |
| InChIKey | AOBVUTGWKRRSRO-UHFFFAOYSA-N |
Chemical Property Profile of Bab-dota
Property Insights of Bab-dota
The XLogP value of -8.6 indicates that Bab-dota is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting Bab-dota may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bab-dota has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bab-dota?
The CAS number of Bab-dota is 126753-62-6.
What is the molecular formula of Bab-dota?
The molecular formula of Bab-dota is C25H36BrN5O9.
What is the molecular weight of Bab-dota?
The molecular weight of Bab-dota is 629.1696 g/mol.
Where can I buy Bab-dota?
You can request a quote for Bab-dota directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bab-dota?
Yes, CoreyChem provides custom synthesis services for Bab-dota and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.