4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid
TL;DR: 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid (CAS 94134-06-2) is a chemical compound with molecular formula C12H15NO6S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-5-ethylsulfonyl-2-methoxybenzoic acid
Also Known As: EINECS 302-772-7, 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid, 4-acetamido-5-ethylsulfonyl-2-methoxybenzoic acid, 4-acetamido-5- -2-methoxybenzoicacid, 4-ACETAMIDO-5-(ETHYLSULFONYL)-2-METHOXYBENZOIC ACID
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 1.1454 |
| Topological Polar Surface Area | 109.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 650.15656 |
Chemical Identifiers
| CAS Number | 94134-06-2 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)OC)NC(=O)C |
Product Overview
4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid (CAS 94134-06-2), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: 4-acetamido-5-ethylsulfonyl-2-methoxybenzoic acid.
Chemical Property Profile of 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid
Property Insights of 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid
The XLogP value of 1.1454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid. The TPSA of 109.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid. Following Lipinski's Rule of Five, 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic 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-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid?
The CAS number of 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid is 94134-06-2.
What is the molecular formula of 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid?
The molecular formula of 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid is C12H15NO6S.
What is the molecular weight of 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid?
The molecular weight of 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid is 301.06 g/mol.
Where can I buy 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid?
You can request a quote for 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-5-(ethylsulphonyl)-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.