N,N-Di-Boc-4-aminomethyl benzonitrile
TL;DR: N,N-Di-Boc-4-aminomethyl benzonitrile (CAS 172348-74-2) is a chemical compound with molecular formula C18H24N2O4 and molecular weight 332.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-cyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Also Known As: N,N-Di-Boc-4-aminomethyl benzonitrile, Tert-butyl N-[(4-cyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate, di(tert-butyl) 4-cyanobenzylimidodicarbonate, N,N-DI-BOC-4-AMINOMETHYLBENZONITRILE, J1.008.209I
| Molecular Formula | C18H24N2O4 |
|---|---|
| Molecular Weight | 332.17 g/mol |
| LogP | 4.23048 |
| Topological Polar Surface Area | 79.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.1736 |
| Heavy Atoms | 24 |
| Complexity | 602.9582 |
Chemical Identifiers
| CAS Number | 172348-74-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C#N)C(=O)OC(C)(C)C |
Product Overview
N,N-Di-Boc-4-aminomethyl benzonitrile (CAS 172348-74-2), with molecular formula C18H24N2O4 and molecular weight 332.17 g/mol. IUPAC: tert-butyl N-[(4-cyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
Chemical Property Profile of N,N-Di-Boc-4-aminomethyl benzonitrile
Property Insights of N,N-Di-Boc-4-aminomethyl benzonitrile
The XLogP value of 4.23048 indicates that N,N-Di-Boc-4-aminomethyl benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Di-Boc-4-aminomethyl benzonitrile. Following Lipinski's Rule of Five, N,N-Di-Boc-4-aminomethyl benzonitrile has 0 hydrogen bond donor(s) and 5 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 N,N-Di-Boc-4-aminomethyl benzonitrile?
The CAS number of N,N-Di-Boc-4-aminomethyl benzonitrile is 172348-74-2.
What is the molecular formula of N,N-Di-Boc-4-aminomethyl benzonitrile?
The molecular formula of N,N-Di-Boc-4-aminomethyl benzonitrile is C18H24N2O4.
What is the molecular weight of N,N-Di-Boc-4-aminomethyl benzonitrile?
The molecular weight of N,N-Di-Boc-4-aminomethyl benzonitrile is 332.17 g/mol.
Where can I buy N,N-Di-Boc-4-aminomethyl benzonitrile?
You can request a quote for N,N-Di-Boc-4-aminomethyl benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Di-Boc-4-aminomethyl benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for N,N-Di-Boc-4-aminomethyl benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.