4-Amino-5-(ethylsulphonyl)-o-anisic acid
TL;DR: 4-Amino-5-(ethylsulphonyl)-o-anisic acid (CAS 71675-87-1) is a chemical compound with molecular formula C10H13NO5S and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-ethylsulfonyl-2-methoxybenzoic acid
Also Known As: 4-amino-5-(ethylsulfonyl)-2-methoxybenzoic acid, null, 4-amino-5-ethylsulfonyl-2-methoxybenzoic acid, Amisulpride EP impurity E, 2-methoxy-4-amino-5-ethylsulfonylbenzoic acid
| Molecular Formula | C10H13NO5S |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 0.7692 |
| Topological Polar Surface Area | 106.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.05145 |
| Heavy Atoms | 17 |
| Complexity | 550.0598 |
Chemical Identifiers
| CAS Number | 71675-87-1 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)OC)N |
Product Overview
4-Amino-5-(ethylsulphonyl)-o-anisic acid (CAS 71675-87-1), with molecular formula C10H13NO5S and molecular weight 259.05 g/mol. IUPAC: 4-amino-5-ethylsulfonyl-2-methoxybenzoic acid.
Chemical Property Profile of 4-Amino-5-(ethylsulphonyl)-o-anisic acid
Property Insights of 4-Amino-5-(ethylsulphonyl)-o-anisic acid
The XLogP value of 0.7692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-(ethylsulphonyl)-o-anisic acid. The TPSA of 106.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-(ethylsulphonyl)-o-anisic acid. Following Lipinski's Rule of Five, 4-Amino-5-(ethylsulphonyl)-o-anisic acid has 2 hydrogen bond donor(s) and 5 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-Amino-5-(ethylsulphonyl)-o-anisic acid?
The CAS number of 4-Amino-5-(ethylsulphonyl)-o-anisic acid is 71675-87-1.
What is the molecular formula of 4-Amino-5-(ethylsulphonyl)-o-anisic acid?
The molecular formula of 4-Amino-5-(ethylsulphonyl)-o-anisic acid is C10H13NO5S.
What is the molecular weight of 4-Amino-5-(ethylsulphonyl)-o-anisic acid?
The molecular weight of 4-Amino-5-(ethylsulphonyl)-o-anisic acid is 259.05 g/mol.
Where can I buy 4-Amino-5-(ethylsulphonyl)-o-anisic acid?
You can request a quote for 4-Amino-5-(ethylsulphonyl)-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 4-Amino-5-(ethylsulphonyl)-o-anisic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-(ethylsulphonyl)-o-anisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.