4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine
TL;DR: 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine (CAS 217313-83-2) is a chemical compound with molecular formula C18H27N3O5 and molecular weight 365.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Also Known As: 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine, tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate, Di-tert-butyl {[4-(N'-hydroxycarbamimidoyl)phenyl]methyl}-2-imidodicarbonate
| Molecular Formula | C18H27N3O5 |
|---|---|
| Molecular Weight | 365.20 g/mol |
| LogP | 3.4533 |
| Topological Polar Surface Area | 114.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.19507 |
| Heavy Atoms | 26 |
| Complexity | 641.55237 |
Chemical Identifiers
| CAS Number | 217313-83-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=NO)N)C(=O)OC(C)(C)C |
Product Overview
4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine (CAS 217313-83-2), with molecular formula C18H27N3O5 and molecular weight 365.20 g/mol. IUPAC: tert-butyl N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
Chemical Property Profile of 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine
Property Insights of 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine
The XLogP value of 3.4533 indicates that 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine. Following Lipinski's Rule of Five, 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine has 2 hydrogen bond donor(s) and 6 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 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine?
The CAS number of 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine is 217313-83-2.
What is the molecular formula of 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine?
The molecular formula of 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine is C18H27N3O5.
What is the molecular weight of 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine?
The molecular weight of 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine is 365.20 g/mol.
Where can I buy 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine?
You can request a quote for 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(N,N-Diboc-aminomethyl)-n-hydroxybenzamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.