DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate
TL;DR: DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate (CAS 882645-09-2) is a chemical compound with molecular formula C15H28N2O4 and molecular weight 300.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 1,4-diazepane-1,4-dicarboxylate
Also Known As: DI(TERT-BUTYL) 1,4-DIAZEPANE-1,4-DICARBOXYLATE, di-tert-butyl 1,4-diazepane-1,4-dicarboxylate, ditert-butyl 1,4-diazepane-1,4-dicarboxylate, 1563AF, 1,4-di-tert-butyl 1,4-diazepane-1,4-dicarboxylate
| Molecular Formula | C15H28N2O4 |
|---|---|
| Molecular Weight | 300.20 g/mol |
| LogP | 2.8643 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.2049 |
| Heavy Atoms | 21 |
| Complexity | 346.1153 |
Chemical Identifiers
| CAS Number | 882645-09-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)OC(C)(C)C |
Product Overview
DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate (CAS 882645-09-2), with molecular formula C15H28N2O4 and molecular weight 300.20 g/mol. IUPAC: ditert-butyl 1,4-diazepane-1,4-dicarboxylate.
Chemical Property Profile of DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate
Property Insights of DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate
The XLogP value of 2.8643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate. With a topological polar surface area (TPSA) of 59.08 Ų, DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate has 0 hydrogen bond donor(s) and 4 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 DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate?
The CAS number of DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate is 882645-09-2.
What is the molecular formula of DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate?
The molecular formula of DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate is C15H28N2O4.
What is the molecular weight of DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate?
The molecular weight of DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate is 300.20 g/mol.
Where can I buy DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate?
You can request a quote for DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for DI(Tert-butyl) 1,4-diazepane-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.