Acetic acid, 2-((3-sulfooxybenzoyl)amino)-
TL;DR: Acetic acid, 2-((3-sulfooxybenzoyl)amino)- (CAS 86321-31-5) is a chemical compound with molecular formula C9H9NO7S and molecular weight 275.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-sulfooxybenzoyl)amino]acetic acid
Also Known As: 4-Hydroxyhippuric acid sulfate, 2-((3-Sulfooxybenzoyl)amino)acetic acid, 2-[(3-sulfooxybenzoyl)amino]acetic Acid, Acetic acid, 2-((3-sulfooxybenzoyl)amino)-, N-{Hydroxy[3-(sulfooxy)phenyl]methylidene}glycine
| Molecular Formula | C9H9NO7S |
|---|---|
| Molecular Weight | 275.01 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.00998 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 86321-31-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OS(=O)(=O)O)C(=O)NCC(=O)O |
| InChIKey | SBLCKJXUMHOIBU-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-((3-sulfooxybenzoyl)amino)- (CAS 86321-31-5), with molecular formula C9H9NO7S and molecular weight 275.01 g/mol. IUPAC: 2-[(3-sulfooxybenzoyl)amino]acetic acid.
Chemical Property Profile of Acetic acid, 2-((3-sulfooxybenzoyl)amino)-
Property Insights of Acetic acid, 2-((3-sulfooxybenzoyl)amino)-
The XLogP value of -0.6 indicates that Acetic acid, 2-((3-sulfooxybenzoyl)amino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-((3-sulfooxybenzoyl)amino)-. Following Lipinski's Rule of Five, Acetic acid, 2-((3-sulfooxybenzoyl)amino)- has 3 hydrogen bond donor(s) and 7 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 Acetic acid, 2-((3-sulfooxybenzoyl)amino)-?
The CAS number of Acetic acid, 2-((3-sulfooxybenzoyl)amino)- is 86321-31-5.
What is the molecular formula of Acetic acid, 2-((3-sulfooxybenzoyl)amino)-?
The molecular formula of Acetic acid, 2-((3-sulfooxybenzoyl)amino)- is C9H9NO7S.
What is the molecular weight of Acetic acid, 2-((3-sulfooxybenzoyl)amino)-?
The molecular weight of Acetic acid, 2-((3-sulfooxybenzoyl)amino)- is 275.01 g/mol.
Where can I buy Acetic acid, 2-((3-sulfooxybenzoyl)amino)-?
You can request a quote for Acetic acid, 2-((3-sulfooxybenzoyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-((3-sulfooxybenzoyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-((3-sulfooxybenzoyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.