5-(Ethylsulphonyl)-4-nitro-o-anisic acid
TL;DR: 5-(Ethylsulphonyl)-4-nitro-o-anisic acid (CAS 79893-22-4) is a chemical compound with molecular formula C10H11NO7S and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfonyl-2-methoxy-4-nitrobenzoic acid
Also Known As: Amisulpride Impurity 43, 5-(Ethylsulphonyl)-4-nitro-o-anisic acid, EINECS 279-336-7, 5-ethylsulfonyl-2-methoxy-4-nitrobenzoic acid, 5-(ETHANESULFONYL)-2-METHOXY-4-NITROBENZOIC ACID
| Molecular Formula | C10H11NO7S |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 1.0952 |
| Topological Polar Surface Area | 123.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.02563 |
| Heavy Atoms | 19 |
| Complexity | 635.52344 |
Chemical Identifiers
| CAS Number | 79893-22-4 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)OC)[N+](=O)[O-] |
Product Overview
5-(Ethylsulphonyl)-4-nitro-o-anisic acid (CAS 79893-22-4), with molecular formula C10H11NO7S and molecular weight 289.03 g/mol. IUPAC: 5-ethylsulfonyl-2-methoxy-4-nitrobenzoic acid.
Chemical Property Profile of 5-(Ethylsulphonyl)-4-nitro-o-anisic acid
Property Insights of 5-(Ethylsulphonyl)-4-nitro-o-anisic acid
The XLogP value of 1.0952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Ethylsulphonyl)-4-nitro-o-anisic acid. The TPSA of 123.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Ethylsulphonyl)-4-nitro-o-anisic acid. Following Lipinski's Rule of Five, 5-(Ethylsulphonyl)-4-nitro-o-anisic acid has 1 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 5-(Ethylsulphonyl)-4-nitro-o-anisic acid?
The CAS number of 5-(Ethylsulphonyl)-4-nitro-o-anisic acid is 79893-22-4.
What is the molecular formula of 5-(Ethylsulphonyl)-4-nitro-o-anisic acid?
The molecular formula of 5-(Ethylsulphonyl)-4-nitro-o-anisic acid is C10H11NO7S.
What is the molecular weight of 5-(Ethylsulphonyl)-4-nitro-o-anisic acid?
The molecular weight of 5-(Ethylsulphonyl)-4-nitro-o-anisic acid is 289.03 g/mol.
Where can I buy 5-(Ethylsulphonyl)-4-nitro-o-anisic acid?
You can request a quote for 5-(Ethylsulphonyl)-4-nitro-o-anisic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Ethylsulphonyl)-4-nitro-o-anisic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Ethylsulphonyl)-4-nitro-o-anisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.