Br-Phi-hbed
TL;DR: Br-Phi-hbed (CAS 126926-47-4) is a chemical compound with molecular formula C29H32BrN3O7 and molecular weight 613.14233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-[4-[(2-bromoacetyl)amino]phenyl]-2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]propyl]-[(2-hydroxyphenyl)methyl]amino]acetic acid
Also Known As: Br-Phi-hbed, N,N-dipropyl isophthalamic acid methyl ester, 1-(4-Bromoacetamidobenzyl)-N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid, 2-[[3-[4-[(2-bromoacetyl)amino]phenyl]-2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]propyl]-[(2-hydroxyphenyl)methyl]amino]acetic acid, N,N'-Bis(2-hydoxybenzyl)-1-(4-bromoacetamidobenzyl)-1,2-ethylenediamine-N,N'-diacetic acid
Technical Specifications
| Molecular Formula | C29H32BrN3O7 |
| Molecular Weight | 613.14233 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 613.14233 Da |
| Heavy Atoms | 40 |
| Complexity | 810.0 |
| SMILES | C1=CC=C(C(=C1)CN(CC(CC2=CC=C(C=C2)NC(=O)CBr)N(CC3=CC=CC=C3O)CC(=O)O)CC(=O)O)O |
| InChIKey | PJZDMOUUFZCTBD-UHFFFAOYSA-N |
Chemical Property Profile of Br-Phi-hbed
Property Insights of Br-Phi-hbed
The XLogP value of -0.8 indicates that Br-Phi-hbed is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting Br-Phi-hbed may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Br-Phi-hbed 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 Br-Phi-hbed?
The CAS number of Br-Phi-hbed is 126926-47-4.
What is the molecular formula of Br-Phi-hbed?
The molecular formula of Br-Phi-hbed is C29H32BrN3O7.
What is the molecular weight of Br-Phi-hbed?
The molecular weight of Br-Phi-hbed is 613.14233 g/mol.
Where can I buy Br-Phi-hbed?
You can request a quote for Br-Phi-hbed directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Br-Phi-hbed?
Yes, CoreyChem provides custom synthesis services for Br-Phi-hbed and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.