Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate
TL;DR: Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate (CAS 67026-85-1) is a chemical compound with molecular formula C13H17N5O and molecular weight 259.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)acetamide
Also Known As: Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate, N-Acetyl-N-tert-butyl-N''-cyano-N'-3-pyridylguanidine hydrate, N-(1-tert-Butyl-2-cyano-3-(3-pyridyl)guanidino)acetamide monohydrate, Acetamide, N-(1-tert-butyl-2-cyano-3-(3-pyridyl)guanidino)-, monohydrate, N-((Cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)acetamide hydrate
| Molecular Formula | C13H17N5O |
|---|---|
| Molecular Weight | 259.14 g/mol |
| LogP | 1.78678 |
| Topological Polar Surface Area | 81.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.1433 |
| Heavy Atoms | 19 |
| Complexity | 510.07538 |
Chemical Identifiers
| CAS Number | 67026-85-1 |
|---|---|
| SMILES | CC(=O)N(C(=NC1=CN=CC=C1)NC#N)C(C)(C)C |
Product Overview
Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate (CAS 67026-85-1), with molecular formula C13H17N5O and molecular weight 259.14 g/mol. IUPAC: N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)acetamide.
Chemical Property Profile of Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate
Property Insights of Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate
The XLogP value of 1.78678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate. The TPSA of 81.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate. Following Lipinski's Rule of Five, Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate has 1 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 Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate?
The CAS number of Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate is 67026-85-1.
What is the molecular formula of Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate?
The molecular formula of Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate is C13H17N5O.
What is the molecular weight of Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate?
The molecular weight of Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate is 259.14 g/mol.
Where can I buy Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate?
You can request a quote for Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-((cyanoamino)(3-pyridinylimino)methyl)-N-(1,1-dimethylethyl)-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.