2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid
TL;DR: 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid (CAS 90558-40-0) is a chemical compound with molecular formula C9H10N2O6S and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfonyl-2-nitroanilino)acetic acid
Also Known As: LeucoMalachiteGreen, {[4-(methylsulfonyl)-2-nitrophenyl]amino}acetic acid, 2-[(4-methanesulfonyl-2-nitrophenyl)amino]acetic acid, 2-(4-methylsulfonyl-2-nitroanilino)acetic acid, SDCCGSBI-0660399.P001
| Molecular Formula | C9H10N2O6S |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 0.4948 |
| Topological Polar Surface Area | 126.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.02597 |
| Heavy Atoms | 18 |
| Complexity | 595.07544 |
Chemical Identifiers
| CAS Number | 90558-40-0 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)NCC(=O)O)[N+](=O)[O-] |
Product Overview
2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid (CAS 90558-40-0), with molecular formula C9H10N2O6S and molecular weight 274.03 g/mol. IUPAC: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid.
Chemical Property Profile of 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid
Property Insights of 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid
The XLogP value of 0.4948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid. The TPSA of 126.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid. Following Lipinski's Rule of Five, 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid has 2 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 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid?
The CAS number of 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid is 90558-40-0.
What is the molecular formula of 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid?
The molecular formula of 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid is C9H10N2O6S.
What is the molecular weight of 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid?
The molecular weight of 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid is 274.03 g/mol.
Where can I buy 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid?
You can request a quote for 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methanesulfonyl-2-nitrophenyl)amino)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.