Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
TL;DR: Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate (CAS 606931-01-5) is a chemical compound with molecular formula C12H24N2O3 and molecular weight 244.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
Also Known As: Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate, 2-(4-Boc-1,4-diazepan-1-yl)ethanol, 1-Boc-4-(2-hydroxyethyl)homopiperazine, 95%, 4-(2-Hydroxyethyl)homopiperazine, N1-BOC protected, tert-Butyl 4-(2-hydroxyethyl)homopiperazine-1-carboxylate
| Molecular Formula | C12H24N2O3 |
|---|---|
| Molecular Weight | 244.18 g/mol |
| LogP | 0.9215 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.1787 |
| Heavy Atoms | 17 |
| Complexity | 250.62552 |
Chemical Identifiers
| CAS Number | 606931-01-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCN(CC1)CCO |
Product Overview
Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate (CAS 606931-01-5), with molecular formula C12H24N2O3 and molecular weight 244.18 g/mol. IUPAC: tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
Property Insights of Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
The XLogP value of 0.9215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate. With a topological polar surface area (TPSA) of 53.01 Ų, Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate has 1 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 Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate?
The CAS number of Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate is 606931-01-5.
What is the molecular formula of Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate?
The molecular formula of Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate is C12H24N2O3.
What is the molecular weight of Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate?
The molecular weight of Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate is 244.18 g/mol.
Where can I buy Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate?
You can request a quote for Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.