N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine
TL;DR: N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine (CAS 681461-13-2) is a chemical compound with molecular formula C14H22N4O4 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
Also Known As: N,N'-Di-Boc-1H-pyrazole-1-carboxamidine, Bis-Boc-pyrazolocarboxamidine, N,N-Bis-Boc-1-Guanylpyrazole, Laninamivir Impurity 4, N,N'-Di-Boc-pyrazole-1-carboxamidine
| Molecular Formula | C14H22N4O4 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 2.547 |
| Topological Polar Surface Area | 94.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 310.1641 |
| Heavy Atoms | 22 |
| Complexity | 550.38824 |
Chemical Identifiers
| CAS Number | 681461-13-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1 |
Product Overview
N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine (CAS 681461-13-2), with molecular formula C14H22N4O4 and molecular weight 310.16 g/mol. IUPAC: tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate.
Chemical Property Profile of N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine
Property Insights of N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine
The XLogP value of 2.547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine. The TPSA of 94.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine. Following Lipinski's Rule of Five, N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine has 1 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'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine?
The CAS number of N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine is 681461-13-2.
What is the molecular formula of N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine?
The molecular formula of N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine is C14H22N4O4.
What is the molecular weight of N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine?
The molecular weight of N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine is 310.16 g/mol.
Where can I buy N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine?
You can request a quote for N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Bis(tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.