Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride
TL;DR: Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride (CAS 127346-48-9) is a chemical compound with molecular formula C10H21ClN2O2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 1,4-diazepane-1-carboxylate;hydrochloride
Also Known As: Boc-hopaz hcl, 1-Boc-homopiperazine HCl, Boc-homoPiz HCl, Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride, Boc-hopaz hydrochloride
| Molecular Formula | C10H21ClN2O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.6386 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.12915 |
| Heavy Atoms | 15 |
| Complexity | 196.0893 |
Chemical Identifiers
| CAS Number | 127346-48-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCNCC1.Cl |
Product Overview
Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride (CAS 127346-48-9), with molecular formula C10H21ClN2O2 and molecular weight 236.13 g/mol. IUPAC: tert-butyl 1,4-diazepane-1-carboxylate;hydrochloride.
Chemical Property Profile of Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride
Property Insights of Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride
The XLogP value of 1.6386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride. With a topological polar surface area (TPSA) of 41.57 Ų, Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride has 1 hydrogen bond donor(s) and 3 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 1,4-diazepane-1-carboxylate Hydrochloride?
The CAS number of Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride is 127346-48-9.
What is the molecular formula of Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride?
The molecular formula of Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride is C10H21ClN2O2.
What is the molecular weight of Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride?
The molecular weight of Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride is 236.13 g/mol.
Where can I buy Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride?
You can request a quote for Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 1,4-diazepane-1-carboxylate Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.