3-Anilino-2,2-dimethyl-3-oxopropanoic acid
TL;DR: 3-Anilino-2,2-dimethyl-3-oxopropanoic acid (CAS 72708-59-9) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2,2-dimethyl-3-oxopropanoic acid
Also Known As: 3-Anilino-2,2-dimethyl-3-oxopropanoic acid, 2,2-Dimethyl-N-phenyl-malonamic acid, 2,2-dimethyl-2-(phenylcarbamoyl)acetic acid, 2,2-dimethyl-3-oxo-3-(phenylamino)propanoic acid, 2-methyl-2-(phenyl-carbamoyl)-propionic acid
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 72708-59-9 |
|---|---|
| SMILES | CC(C)(C(=O)NC1=CC=CC=C1)C(=O)O |
| InChIKey | QWTZGCYJOCNTEI-UHFFFAOYSA-N |
Product Overview
3-Anilino-2,2-dimethyl-3-oxopropanoic acid (CAS 72708-59-9), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 3-anilino-2,2-dimethyl-3-oxopropanoic acid.
Chemical Property Profile of 3-Anilino-2,2-dimethyl-3-oxopropanoic acid
Property Insights of 3-Anilino-2,2-dimethyl-3-oxopropanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Anilino-2,2-dimethyl-3-oxopropanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Anilino-2,2-dimethyl-3-oxopropanoic acid. Following Lipinski's Rule of Five, 3-Anilino-2,2-dimethyl-3-oxopropanoic acid has 2 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 3-Anilino-2,2-dimethyl-3-oxopropanoic acid?
The CAS number of 3-Anilino-2,2-dimethyl-3-oxopropanoic acid is 72708-59-9.
What is the molecular formula of 3-Anilino-2,2-dimethyl-3-oxopropanoic acid?
The molecular formula of 3-Anilino-2,2-dimethyl-3-oxopropanoic acid is C11H13NO3.
What is the molecular weight of 3-Anilino-2,2-dimethyl-3-oxopropanoic acid?
The molecular weight of 3-Anilino-2,2-dimethyl-3-oxopropanoic acid is 207.09 g/mol.
Where can I buy 3-Anilino-2,2-dimethyl-3-oxopropanoic acid?
You can request a quote for 3-Anilino-2,2-dimethyl-3-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilino-2,2-dimethyl-3-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2,2-dimethyl-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.