![1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene structure](/static/products/4286/42868-89-3.webp)
1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene
TL;DR: 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene (CAS 42868-89-3) is a chemical compound with molecular formula C9H8NO3- and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylanilino)-2-oxoacetate
Also Known As: (4-methylphenyl)carbamoylformate, 2-(4-methylanilino)-2-oxoacetate, 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene
| Molecular Formula | C9H8NO3- |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | -0.31658 |
| Topological Polar Surface Area | 69.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05042 |
| Heavy Atoms | 13 |
| Complexity | 329.218 |
Chemical Identifiers
| CAS Number | 42868-89-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C(=O)[O-] |
Product Overview
1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene (CAS 42868-89-3), with molecular formula C9H8NO3- and molecular weight 178.05 g/mol. IUPAC: 2-(4-methylanilino)-2-oxoacetate.
Chemical Property Profile of 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene
Property Insights of 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene
The XLogP value of -0.31658 indicates that 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene. Following Lipinski's Rule of Five, 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene has 1 hydrogen bond donor(s) and 3 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 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene?
The CAS number of 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene is 42868-89-3.
What is the molecular formula of 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene?
The molecular formula of 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene is C9H8NO3-.
What is the molecular weight of 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene?
The molecular weight of 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene is 178.05 g/mol.
Where can I buy 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene?
You can request a quote for 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-{[Carboxy(oxidanidyl)methylidene]amino}-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.