Glycolic acid, nitrate, isobutyl ester
TL;DR: Glycolic acid, nitrate, isobutyl ester (CAS 5426-54-0) 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-methylpropyl 2-nitrooxyacetate
Also Known As: isobutyl 2-nitrooxyacetate, 2-methylpropyl(nitrooxy)acetate, 2-methylpropyl 2-nitrooxyacetate, 2-Methylpropyl (nitrooxy)acetate, Glycolic acid, nitrate, isobutyl ester
| Molecular Formula | C6H11NO5 |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.06372 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 5426-54-0 |
|---|---|
| SMILES | CC(C)COC(=O)CO[N+](=O)[O-] |
| InChIKey | CKQILHWPHPTJBO-UHFFFAOYSA-N |
Product Overview
Glycolic acid, nitrate, isobutyl ester (CAS 5426-54-0), with molecular formula C6H11NO5 and molecular weight 177.06 g/mol. IUPAC: 2-methylpropyl 2-nitrooxyacetate.
Chemical Property Profile of Glycolic acid, nitrate, isobutyl ester
Property Insights of Glycolic acid, nitrate, isobutyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycolic acid, nitrate, isobutyl ester. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycolic acid, nitrate, isobutyl ester. Following Lipinski's Rule of Five, Glycolic acid, nitrate, isobutyl ester has 0 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 Glycolic acid, nitrate, isobutyl ester?
The CAS number of Glycolic acid, nitrate, isobutyl ester is 5426-54-0.
What is the molecular formula of Glycolic acid, nitrate, isobutyl ester?
The molecular formula of Glycolic acid, nitrate, isobutyl ester is C6H11NO5.
What is the molecular weight of Glycolic acid, nitrate, isobutyl ester?
The molecular weight of Glycolic acid, nitrate, isobutyl ester is 177.06 g/mol.
Where can I buy Glycolic acid, nitrate, isobutyl ester?
You can request a quote for Glycolic acid, nitrate, isobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycolic acid, nitrate, isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Glycolic acid, nitrate, isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.