Benzoic acid, 2-(ethylamino)-5-sulfo-
TL;DR: Benzoic acid, 2-(ethylamino)-5-sulfo- (CAS 119-22-2) is a chemical compound with molecular formula C9H11NO5S and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethylamino)-5-sulfobenzoic acid
Also Known As: 2-(ethylamino)-5-sulfobenzoic acid, N-Ethyl-5-sulfoanthranilic acid, Benzoic acid, 2-(ethylamino)-5-sulfo-, N-Ethyl-5-sulphoanthranilic acid, 2-Ethylamino-5-sulfobenzoic acid
| Molecular Formula | C9H11NO5S |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0358 |
| Heavy Atoms | 16 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 119-22-2 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O |
| InChIKey | WXUAZZARGUDIHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-(ethylamino)-5-sulfo- (CAS 119-22-2), with molecular formula C9H11NO5S and molecular weight 245.04 g/mol. IUPAC: 2-(ethylamino)-5-sulfobenzoic acid.
Chemical Property Profile of Benzoic acid, 2-(ethylamino)-5-sulfo-
Property Insights of Benzoic acid, 2-(ethylamino)-5-sulfo-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-(ethylamino)-5-sulfo-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(ethylamino)-5-sulfo-. Following Lipinski's Rule of Five, Benzoic acid, 2-(ethylamino)-5-sulfo- has 3 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 Benzoic acid, 2-(ethylamino)-5-sulfo-?
The CAS number of Benzoic acid, 2-(ethylamino)-5-sulfo- is 119-22-2.
What is the molecular formula of Benzoic acid, 2-(ethylamino)-5-sulfo-?
The molecular formula of Benzoic acid, 2-(ethylamino)-5-sulfo- is C9H11NO5S.
What is the molecular weight of Benzoic acid, 2-(ethylamino)-5-sulfo-?
The molecular weight of Benzoic acid, 2-(ethylamino)-5-sulfo- is 245.04 g/mol.
Where can I buy Benzoic acid, 2-(ethylamino)-5-sulfo-?
You can request a quote for Benzoic acid, 2-(ethylamino)-5-sulfo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-(ethylamino)-5-sulfo-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(ethylamino)-5-sulfo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.