2,2-二甲基-4-硝酸氧基丁酸
TL;DR: 2,2-二甲基-4-硝酸氧基丁酸 (CAS 5426-38-0) is a chemical compound with molecular formula C6H11NO5 and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二甲基-4-硝酸氧基丁酸
2,2-dimethyl-4-nitrooxybutanoic acid
Also Known As: 2,2-dimethyl-4-nitrooxybutanoic acid, silver(1+) ion perchlorate, 2,2-dimethyl-4-(nitrooxy)butanoic acid, Butanoic acid,2,2-dimethyl-4-(nitrooxy)-
| Molecular Formula | C6H11NO5 |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.06372 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 5426-38-0 |
|---|---|
| SMILES | CC(C)(CCO[N+](=O)[O-])C(=O)O |
| InChIKey | VAHDXGRNVJNJRN-UHFFFAOYSA-N |
Product Overview
2,2-二甲基-4-硝酸氧基丁酸 (CAS 5426-38-0), with molecular formula C6H11NO5 and molecular weight 177.06 g/mol. IUPAC: 2,2-dimethyl-4-nitrooxybutanoic acid.
Chemical Property Profile of 2,2-二甲基-4-硝酸氧基丁酸
Property Insights of 2,2-二甲基-4-硝酸氧基丁酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二甲基-4-硝酸氧基丁酸. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-二甲基-4-硝酸氧基丁酸. Following Lipinski's Rule of Five, 2,2-二甲基-4-硝酸氧基丁酸 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 2,2-二甲基-4-硝酸氧基丁酸?
The CAS number of 2,2-二甲基-4-硝酸氧基丁酸 is 5426-38-0.
What is the molecular formula of 2,2-二甲基-4-硝酸氧基丁酸?
The molecular formula of 2,2-二甲基-4-硝酸氧基丁酸 is C6H11NO5.
What is the molecular weight of 2,2-二甲基-4-硝酸氧基丁酸?
The molecular weight of 2,2-二甲基-4-硝酸氧基丁酸 is 177.06 g/mol.
Where can I buy 2,2-二甲基-4-硝酸氧基丁酸?
You can request a quote for 2,2-二甲基-4-硝酸氧基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基-4-硝酸氧基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基-4-硝酸氧基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.