N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine
TL;DR: N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine (CAS 351224-46-9) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2,2-dimethylpropanamide
Also Known As: N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine, (E)-N-(amino(benzo[d]oxazol-2-ylamino)methylene)pivalamide, N-Benzooxazol-2-yl-N'-(2,2-dimethyl-propionyl)-guanidine, N-[(E)-amino(1,3-benzoxazol-2-ylamino)methylidene]-2,2-dimethylpropanamide, N-[(E)-amino(1,3-benzoxazol-2-ylimino)methyl]-2,2-dimethylpropanamide
| Molecular Formula | C13H16N4O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 1.9363 |
| Topological Polar Surface Area | 93.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.12732 |
| Heavy Atoms | 19 |
| Complexity | 604.3758 |
Chemical Identifiers
| CAS Number | 351224-46-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)N/C(=N/C1=NC2=CC=CC=C2O1)/N |
Product Overview
N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine (CAS 351224-46-9), with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol. IUPAC: N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-2,2-dimethylpropanamide.
Chemical Property Profile of N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine
Property Insights of N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine
The XLogP value of 1.9363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine. The TPSA of 93.51 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine. Following Lipinski's Rule of Five, N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine has 2 hydrogen bond donor(s) and 4 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-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine?
The CAS number of N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine is 351224-46-9.
What is the molecular formula of N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine?
The molecular formula of N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine is C13H16N4O2.
What is the molecular weight of N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine?
The molecular weight of N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine is 260.13 g/mol.
Where can I buy N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine?
You can request a quote for N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzoxazol-2-yl)-N''-(2,2-dimethylpropanoyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.