Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester
TL;DR: Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester (CAS 125629-13-2) is a chemical compound with molecular formula C11H13NO6 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,3-dihydroxy-5-nitrobenzoate
Also Known As: Butyl 2,3-dihydroxy-5-nitrobenzoate, Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester, Benzoic acid,2,3-dihydroxy-5-nitro-,butyl ester, RefChem:326535
| Molecular Formula | C11H13NO6 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 1.9629 |
| Topological Polar Surface Area | 109.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.07428 |
| Heavy Atoms | 18 |
| Complexity | 470.8464 |
Chemical Identifiers
| CAS Number | 125629-13-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])O)O |
Product Overview
Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester (CAS 125629-13-2), with molecular formula C11H13NO6 and molecular weight 255.07 g/mol. IUPAC: butyl 2,3-dihydroxy-5-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester
Property Insights of Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester
The XLogP value of 1.9629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester. The TPSA of 109.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester has 2 hydrogen bond donor(s) and 6 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 Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester?
The CAS number of Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester is 125629-13-2.
What is the molecular formula of Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester?
The molecular formula of Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester is C11H13NO6.
What is the molecular weight of Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester?
The molecular weight of Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester is 255.07 g/mol.
Where can I buy Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester?
You can request a quote for Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.