![tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate structure](/static/products/845/845866-71-9.png)
tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate
TL;DR: tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate (CAS 845866-71-9) is a chemical compound with molecular formula C17H25N3O2 and molecular weight 303.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]carbamate
Also Known As: 2-(4'-N-Boc-aminobenzyl)-2,5-diazabicyclo[2.2.1]heptane, (1S,4S)-(+)-[4-(2,5-DIAZA-BICYCLO[2.2.1]HEPT-2-YLMETHYL)-PHENYL]-CARBAMIC ACID TERT-BUTYL ESTER 2CF3COOH, Tert-butyl N-[4-(3,6-diazabicyclo[2.2.1]hept-6-ylmethyl)phenyl]carbamate, (4-(2,5-diazabicyclo[2.2.1]hept-2-ylmethyl)phenyl)carbamic acid tert-butyl ester, 2,5-Diazabicyclo[2.2.1]heptane-2-carboxylicacid,9H-fluoren-9-ylmethyl ester
| Molecular Formula | C17H25N3O2 |
|---|---|
| Molecular Weight | 303.19 g/mol |
| LogP | 2.5797 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.19467 |
| Heavy Atoms | 22 |
| Complexity | 535.8302 |
Chemical Identifiers
| CAS Number | 845866-71-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN2CC3CC2CN3 |
Product Overview
tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate (CAS 845866-71-9), with molecular formula C17H25N3O2 and molecular weight 303.19 g/mol. IUPAC: tert-butyl N-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]carbamate.
Chemical Property Profile of tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate
Property Insights of tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate
The XLogP value of 2.5797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate. With a topological polar surface area (TPSA) of 53.6 Ų, tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate 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 tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate?
The CAS number of tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate is 845866-71-9.
What is the molecular formula of tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate?
The molecular formula of tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate is C17H25N3O2.
What is the molecular weight of tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate?
The molecular weight of tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate is 303.19 g/mol.
Where can I buy tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate?
You can request a quote for tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate 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-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl {4-[(2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.