![4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid structure](/static/products/7506/750607-80-8.webp)
4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid
TL;DR: 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid (CAS 750607-80-8) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylpropylsulfanyl)-3-nitrobenzoic acid
Also Known As: 4-(isobutylthio)-3-nitrobenzoic acid, 4-[(2-methylpropyl)sulfanyl]-3-nitrobenzoic acid, 4-(2-methylpropylsulfanyl)-3-nitrobenzoic acid, 4-isobutylsulfanyl-3-nitro-benzoic acid, 4-(2-methylpropylsulfanyl)-3-nitro-benzoic Acid
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 3.0411 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 445.09763 |
Chemical Identifiers
| CAS Number | 750607-80-8 |
|---|---|
| SMILES | CC(C)CSC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid (CAS 750607-80-8), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: 4-(2-methylpropylsulfanyl)-3-nitrobenzoic acid.
Chemical Property Profile of 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid
Property Insights of 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid
The XLogP value of 3.0411 indicates that 4-[(2-Methylpropyl)sulfanyl]-3-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 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 4 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-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid?
The CAS number of 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid is 750607-80-8.
What is the molecular formula of 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid?
The molecular formula of 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid is C11H13NO4S.
What is the molecular weight of 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid?
The molecular weight of 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid is 255.06 g/mol.
Where can I buy 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid?
You can request a quote for 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Methylpropyl)sulfanyl]-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.