Bab-tata
TL;DR: Bab-tata (CAS 121697-38-9) is a chemical compound with molecular formula C27H40BrN5O9 and molecular weight 657.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
Also Known As: Bab-tata, Br-Benzyl-teta, 6-(4-Bromoacetamidobenzyl)-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid, 6-(4-(Bromoacetamido)benzyl)-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetracetic acid, 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraaceticacid, 6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-
| Molecular Formula | C27H40BrN5O9 |
|---|---|
| Molecular Weight | 657.20 g/mol |
| LogP | -8.1 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 657.2009 |
| Heavy Atoms | 42 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 121697-38-9 |
|---|---|
| SMILES | C1CN(CCN(CC(CN(CCN(C1)CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)NC(=O)CBr)CC(=O)O)CC(=O)O |
| InChIKey | GNTDHMNLBPOHHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bab-tata (CAS 121697-38-9), with molecular formula C27H40BrN5O9 and molecular weight 657.20 g/mol. IUPAC: 2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid.
Chemical Property Profile of Bab-tata
Property Insights of Bab-tata
The XLogP value of -8.1 indicates that Bab-tata 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-tata may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bab-tata has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bab-tata?
The CAS number of Bab-tata is 121697-38-9.
What is the molecular formula of Bab-tata?
The molecular formula of Bab-tata is C27H40BrN5O9.
What is the molecular weight of Bab-tata?
The molecular weight of Bab-tata is 657.20 g/mol.
Where can I buy Bab-tata?
You can request a quote for Bab-tata directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bab-tata?
Yes, KEHONG BIO provides custom synthesis services for Bab-tata and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.