1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate
TL;DR: 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate (CAS 56877-40-8) is a chemical compound with molecular formula C23H33NO8 and molecular weight 451.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,1-O-ditert-butyl 3-O-methyl 3-(phenylmethoxycarbonylamino)propane-1,1,3-tricarboxylate
Also Known As: 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate, 1,1-di-tert-butyl 3-methyl 3-{[(benzyloxy)carbonyl]amino}propane-1,1,3-tricarboxylate, 1,1-Ditert-butyl 3-methyl 3-([(benzyloxy)carbonyl]amino)-1,1,3-propanetricarboxylate, 1,1-Ditert-butyl 3-methyl 3-([(benzyloxy)carbonyl]amino)-1,1,3-propanetricarboxylate #, 1-O,1-O-ditert-butyl 3-O-methyl 3-(phenylmethoxycarbonylamino)propane-1,1,3-tricarboxylate
| Molecular Formula | C23H33NO8 |
|---|---|
| Molecular Weight | 451.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 451.2206 |
| Heavy Atoms | 32 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 56877-40-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C |
| InChIKey | ABXHPPJNSSQTLW-UHFFFAOYSA-N |
Product Overview
1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate (CAS 56877-40-8), with molecular formula C23H33NO8 and molecular weight 451.22 g/mol. IUPAC: 1-O,1-O-ditert-butyl 3-O-methyl 3-(phenylmethoxycarbonylamino)propane-1,1,3-tricarboxylate.
Chemical Property Profile of 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate
Property Insights of 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate
The XLogP value of 3.7 indicates that 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate. Following Lipinski's Rule of Five, 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate has 1 hydrogen bond donor(s) and 8 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 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate?
The CAS number of 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate is 56877-40-8.
What is the molecular formula of 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate?
The molecular formula of 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate is C23H33NO8.
What is the molecular weight of 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate?
The molecular weight of 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate is 451.22 g/mol.
Where can I buy 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate?
You can request a quote for 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Di-tert-butyl 3-Methyl 3-(Cbz-amino)propane-1,1,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.