N,N-Di-Boc-4-aminomethyl benzamidine
TL;DR: N,N-Di-Boc-4-aminomethyl benzamidine (CAS 217314-30-2) is a chemical compound with molecular formula C18H27N3O4 and molecular weight 349.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-carbamimidoylphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Also Known As: N,N-Di-Boc-4-aminomethyl benzamidine, N,N-DI-BOC-4-AMINOMETHYLBENZAMIDINE, Tert-butyl N-[(4-carbamimidoylphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate, tert-butylN-[(4-carbamimidoylphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
| Molecular Formula | C18H27N3O4 |
|---|---|
| Molecular Weight | 349.20 g/mol |
| LogP | 3.64287 |
| Topological Polar Surface Area | 105.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.20016 |
| Heavy Atoms | 25 |
| Complexity | 611.7704 |
Chemical Identifiers
| CAS Number | 217314-30-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=N)N)C(=O)OC(C)(C)C |
Product Overview
N,N-Di-Boc-4-aminomethyl benzamidine (CAS 217314-30-2), with molecular formula C18H27N3O4 and molecular weight 349.20 g/mol. IUPAC: tert-butyl N-[(4-carbamimidoylphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
Chemical Property Profile of N,N-Di-Boc-4-aminomethyl benzamidine
Property Insights of N,N-Di-Boc-4-aminomethyl benzamidine
The XLogP value of 3.64287 indicates that N,N-Di-Boc-4-aminomethyl benzamidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Di-Boc-4-aminomethyl benzamidine. Following Lipinski's Rule of Five, N,N-Di-Boc-4-aminomethyl benzamidine has 2 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 benzamidine?
The CAS number of N,N-Di-Boc-4-aminomethyl benzamidine is 217314-30-2.
What is the molecular formula of N,N-Di-Boc-4-aminomethyl benzamidine?
The molecular formula of N,N-Di-Boc-4-aminomethyl benzamidine is C18H27N3O4.
What is the molecular weight of N,N-Di-Boc-4-aminomethyl benzamidine?
The molecular weight of N,N-Di-Boc-4-aminomethyl benzamidine is 349.20 g/mol.
Where can I buy N,N-Di-Boc-4-aminomethyl benzamidine?
You can request a quote for N,N-Di-Boc-4-aminomethyl benzamidine 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 benzamidine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Di-Boc-4-aminomethyl benzamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.