Benzyl tert-butyl ethane-1,2-diyldicarbamate
TL;DR: Benzyl tert-butyl ethane-1,2-diyldicarbamate (CAS 77153-05-0) is a chemical compound with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
Also Known As: Benzyl tert-butyl ethane-1,2-diyldicarbamate, N-CBZ-N'-BOC-ETHYLENEDIAMINE, N-Boc-N'-Cbz-Ethylenediamine, 1-CBZ-AMINO-2-BOC-AMINO-ETHANE, N1-Boc-N2-Cbz-1,2-ethanediamine
| Molecular Formula | C15H22N2O4 |
|---|---|
| Molecular Weight | 294.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.15796 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 77153-05-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCNC(=O)OCC1=CC=CC=C1 |
| InChIKey | KSRSLPBOKBJBBE-UHFFFAOYSA-N |
Product Overview
Benzyl tert-butyl ethane-1,2-diyldicarbamate (CAS 77153-05-0), with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol. IUPAC: benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate.
Chemical Property Profile of Benzyl tert-butyl ethane-1,2-diyldicarbamate
Property Insights of Benzyl tert-butyl ethane-1,2-diyldicarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl tert-butyl ethane-1,2-diyldicarbamate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl tert-butyl ethane-1,2-diyldicarbamate. Following Lipinski's Rule of Five, Benzyl tert-butyl ethane-1,2-diyldicarbamate has 2 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 Benzyl tert-butyl ethane-1,2-diyldicarbamate?
The CAS number of Benzyl tert-butyl ethane-1,2-diyldicarbamate is 77153-05-0.
What is the molecular formula of Benzyl tert-butyl ethane-1,2-diyldicarbamate?
The molecular formula of Benzyl tert-butyl ethane-1,2-diyldicarbamate is C15H22N2O4.
What is the molecular weight of Benzyl tert-butyl ethane-1,2-diyldicarbamate?
The molecular weight of Benzyl tert-butyl ethane-1,2-diyldicarbamate is 294.16 g/mol.
Where can I buy Benzyl tert-butyl ethane-1,2-diyldicarbamate?
You can request a quote for Benzyl tert-butyl ethane-1,2-diyldicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl tert-butyl ethane-1,2-diyldicarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl tert-butyl ethane-1,2-diyldicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.