2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid
TL;DR: 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid (CAS 84712-88-9) is a chemical compound with molecular formula C11H13NO6S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-4-(2-hydroxyethylsulfonyl)benzoic acid
Also Known As: EINECS 283-778-6, 2-(acetamido)-4-[(2-hydroxyethyl)sulphonyl]benzoic acid, 2- -4-[ sulphonyl]benzoicacid, 2-(Acetamido)-4-((2-hydroxyethyl)sulphonyl)benzoic acid, 2-acetamido-4-(2-hydroxyethylsulfonyl)benzoic acid
| Molecular Formula | C11H13NO6S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 0.1092 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.04636 |
| Heavy Atoms | 19 |
| Complexity | 607.61145 |
Chemical Identifiers
| CAS Number | 84712-88-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)CCO)C(=O)O |
Product Overview
2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid (CAS 84712-88-9), with molecular formula C11H13NO6S and molecular weight 287.05 g/mol. IUPAC: 2-acetamido-4-(2-hydroxyethylsulfonyl)benzoic acid.
Chemical Property Profile of 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid
Property Insights of 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid
The XLogP value of 0.1092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid has 3 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 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid?
The CAS number of 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid is 84712-88-9.
What is the molecular formula of 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid?
The molecular formula of 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid is C11H13NO6S.
What is the molecular weight of 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid?
The molecular weight of 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid is 287.05 g/mol.
Where can I buy 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid?
You can request a quote for 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-4-((2-hydroxyethyl)sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.