(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate
TL;DR: (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate (CAS 1217975-73-9) is a chemical compound with molecular formula C10H18N2O2 and molecular weight 198.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Also Known As: Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate, N-Boc-2,5-diaza-bicyclo[2.2.1]heptane, 2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester, (1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE, 2-Boc-2,5-diazabicyclo[2.2.1]heptane
| Molecular Formula | C10H18N2O2 |
|---|---|
| Molecular Weight | 198.14 g/mol |
| LogP | 0.9676 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.13683 |
| Heavy Atoms | 14 |
| Complexity | 246.99678 |
Chemical Identifiers
| CAS Number | 1217975-73-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC2CC1CN2 |
Product Overview
(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate (CAS 1217975-73-9), with molecular formula C10H18N2O2 and molecular weight 198.14 g/mol. IUPAC: tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate.
Chemical Property Profile of (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate
Property Insights of (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate
The XLogP value of 0.9676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate. With a topological polar surface area (TPSA) of 41.57 Ų, (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate 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 (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate?
The CAS number of (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate is 1217975-73-9.
What is the molecular formula of (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate?
The molecular formula of (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate is C10H18N2O2.
What is the molecular weight of (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate?
The molecular weight of (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate is 198.14 g/mol.
Where can I buy (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate?
You can request a quote for (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.