n-Octyl-5-dithio-2-nitrobenzoic acid
TL;DR: n-Octyl-5-dithio-2-nitrobenzoic acid (CAS 146019-29-6) is a chemical compound with molecular formula C15H21NO4S2 and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-5-(octyldisulfanyl)benzoic acid
Also Known As: ODNB, Dithio-octyl-nitrobenzoic acid, 2-nitro-5-(octyldisulfanyl)benzoic acid, n-Octyl-5-dithio-2-nitrobenzoic acid, n-octyl-5-dithio-2-nitrobenzoicacid
| Molecular Formula | C15H21NO4S2 |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 5.3938 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 343.0912 |
| Heavy Atoms | 22 |
| Complexity | 508.31586 |
Chemical Identifiers
| CAS Number | 146019-29-6 |
|---|---|
| SMILES | CCCCCCCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
Product Overview
n-Octyl-5-dithio-2-nitrobenzoic acid (CAS 146019-29-6), with molecular formula C15H21NO4S2 and molecular weight 343.09 g/mol. IUPAC: 2-nitro-5-(octyldisulfanyl)benzoic acid.
Chemical Property Profile of n-Octyl-5-dithio-2-nitrobenzoic acid
Property Insights of n-Octyl-5-dithio-2-nitrobenzoic acid
The XLogP value of 5.3938 indicates that n-Octyl-5-dithio-2-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Octyl-5-dithio-2-nitrobenzoic acid. Following Lipinski's Rule of Five, n-Octyl-5-dithio-2-nitrobenzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-Octyl-5-dithio-2-nitrobenzoic acid?
The CAS number of n-Octyl-5-dithio-2-nitrobenzoic acid is 146019-29-6.
What is the molecular formula of n-Octyl-5-dithio-2-nitrobenzoic acid?
The molecular formula of n-Octyl-5-dithio-2-nitrobenzoic acid is C15H21NO4S2.
What is the molecular weight of n-Octyl-5-dithio-2-nitrobenzoic acid?
The molecular weight of n-Octyl-5-dithio-2-nitrobenzoic acid is 343.09 g/mol.
Where can I buy n-Octyl-5-dithio-2-nitrobenzoic acid?
You can request a quote for n-Octyl-5-dithio-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Octyl-5-dithio-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for n-Octyl-5-dithio-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.