新戊腈N-氧化物
TL;DR: 新戊腈N-氧化物 (CAS 27143-81-3) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新戊腈N-氧化物
2,2-dimethylpropanenitrile oxide
Also Known As: Pivalonitrile N-oxide, tert-C4H9CNO, tert-Butylnitrile N-oxide, 2,2-dimethylpropanenitrile oxide, 2,2-Dimethylpropanenitrileoxide
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 27143-81-3 |
|---|---|
| SMILES | CC(C)(C)C#[N+][O-] |
| InChIKey | XAKAHZSZHVQMMA-UHFFFAOYSA-N |
Product Overview
新戊腈N-氧化物 (CAS 27143-81-3), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 2,2-dimethylpropanenitrile oxide.
Chemical Property Profile of 新戊腈N-氧化物
Property Insights of 新戊腈N-氧化物
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新戊腈N-氧化物. With a topological polar surface area (TPSA) of 30.7 Ų, 新戊腈N-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新戊腈N-氧化物 has 0 hydrogen bond donor(s) and 1 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 新戊腈N-氧化物?
The CAS number of 新戊腈N-氧化物 is 27143-81-3.
What is the molecular formula of 新戊腈N-氧化物?
The molecular formula of 新戊腈N-氧化物 is C5H9NO.
What is the molecular weight of 新戊腈N-氧化物?
The molecular weight of 新戊腈N-氧化物 is 99.07 g/mol.
Where can I buy 新戊腈N-氧化物?
You can request a quote for 新戊腈N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新戊腈N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 新戊腈N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.