4-Nitrooxybutyl 5-amino-2-hydroxybenzoate
TL;DR: 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate (CAS 256499-26-0) is a chemical compound with molecular formula C11H14N2O6 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrooxybutyl 5-amino-2-hydroxybenzoate
Also Known As: NCX 456, 4-nitrooxybutyl 5-amino-2-hydroxybenzoate, NCX456, 4-(NITROOXY)BUTYL 5-AMINO-2-HYDROXYBENZOATE, Benzoic acid, 5-amino-2-hydroxy-, 4-(nitrooxy)butyl ester
| Molecular Formula | C11H14N2O6 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 1.1197 |
| Topological Polar Surface Area | 124.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.08517 |
| Heavy Atoms | 19 |
| Complexity | 462.4987 |
Chemical Identifiers
| CAS Number | 256499-26-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)C(=O)OCCCCO[N+](=O)[O-])O |
Product Overview
4-Nitrooxybutyl 5-amino-2-hydroxybenzoate (CAS 256499-26-0), with molecular formula C11H14N2O6 and molecular weight 270.09 g/mol. IUPAC: 4-nitrooxybutyl 5-amino-2-hydroxybenzoate.
Chemical Property Profile of 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate
Property Insights of 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate
The XLogP value of 1.1197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate. The TPSA of 124.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate. Following Lipinski's Rule of Five, 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate has 2 hydrogen bond donor(s) and 7 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 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate?
The CAS number of 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate is 256499-26-0.
What is the molecular formula of 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate?
The molecular formula of 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate is C11H14N2O6.
What is the molecular weight of 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate?
The molecular weight of 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate is 270.09 g/mol.
Where can I buy 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate?
You can request a quote for 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrooxybutyl 5-amino-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.