Brme2HBED
TL;DR: Brme2HBED (CAS 126753-16-0) is a chemical compound with molecular formula C24H30BrN3O7 and molecular weight 551.1267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
Also Known As: Brme2HBED, N-(2-Hydroxy-3,5-dimethylbenzyl)-N-(2-hydroxy-5-bromoacetamidobenzyl)ethylenediamine-N,N'-diacetic acid, 2-[2-[[5-[(2-bromoacetyl)amino]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid, ({2-[{[5-(2-Bromoacetamido)-2-hydroxyphenyl]methyl}(carboxymethyl)amino]ethyl}[(2-hydroxy-3,5-dimethylphenyl)methyl]amino)acetic acid, N-(2-hydroxy-3,5-dimethylbenzyl)-N-(2-hydroxy-5-bromoacetamidobenzyl)ethylenediamine-N,N/'-diacetic
Technical Specifications
| Molecular Formula | C24H30BrN3O7 |
| Molecular Weight | 551.1267 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 551.1267 Da |
| Heavy Atoms | 35 |
| Complexity | 713.0 |
| SMILES | CC1=CC(=C(C(=C1)CN(CCN(CC2=C(C=CC(=C2)NC(=O)CBr)O)CC(=O)O)CC(=O)O)O)C |
| InChIKey | TYGKKGMYKKRIJH-UHFFFAOYSA-N |
Chemical Property Profile of Brme2HBED
Property Insights of Brme2HBED
The XLogP value of -2.1 indicates that Brme2HBED is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting Brme2HBED may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brme2HBED has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Brme2HBED?
The CAS number of Brme2HBED is 126753-16-0.
What is the molecular formula of Brme2HBED?
The molecular formula of Brme2HBED is C24H30BrN3O7.
What is the molecular weight of Brme2HBED?
The molecular weight of Brme2HBED is 551.1267 g/mol.
Where can I buy Brme2HBED?
You can request a quote for Brme2HBED directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Brme2HBED?
Yes, CoreyChem provides custom synthesis services for Brme2HBED and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.