Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate
TL;DR: Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate (CAS 162148-45-0) is a chemical compound with molecular formula C24H32N4O4 and molecular weight 440.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
Also Known As: Bis-Cbz-cyclen, Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate, NCI60_034484, 1,4,7,10-Tetraazacyclododecane-1,7-bis(benzylcarbamide), dibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
| Molecular Formula | C24H32N4O4 |
|---|---|
| Molecular Weight | 440.24 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.24237 |
| Heavy Atoms | 32 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 162148-45-0 |
|---|---|
| SMILES | C1CN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 |
| InChIKey | XLXMYMNBHSMTEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate (CAS 162148-45-0), with molecular formula C24H32N4O4 and molecular weight 440.24 g/mol. IUPAC: dibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate.
Chemical Property Profile of Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate
Property Insights of Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate. Following Lipinski's Rule of Five, Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate?
The CAS number of Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate is 162148-45-0.
What is the molecular formula of Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate?
The molecular formula of Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate is C24H32N4O4.
What is the molecular weight of Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate?
The molecular weight of Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate is 440.24 g/mol.
Where can I buy Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate?
You can request a quote for Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.