TL;DR: N,N'-Di-Boc-guanidine (CAS 154476-57-0) is a chemical compound with molecular formula C11H21N3O4 and molecular weight 259.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
Also Known As: N,N'-Di-Boc-guanidine, di-Boc-guanidine, Di-boc guanidine, bis-boc guanidine, bis-Boc-guanidine
| Molecular Formula | C11H21N3O4 |
| Molecular Weight | 259.1532 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.1532 Da |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
| SMILES | CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N |
| InChIKey | VPWFNCFRPQFWGS-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Di-Boc-guanidine. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Di-Boc-guanidine. Following Lipinski's Rule of Five, N,N'-Di-Boc-guanidine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N,N'-Di-Boc-guanidine is 154476-57-0.
The molecular formula of N,N'-Di-Boc-guanidine is C11H21N3O4.
The molecular weight of N,N'-Di-Boc-guanidine is 259.1532 g/mol.
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