4-(Mesitylamino)-4-oxobutanoic acid
TL;DR: 4-(Mesitylamino)-4-oxobutanoic acid (CAS 201741-53-9) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(2,4,6-trimethylanilino)butanoic acid
Also Known As: 4-(MESITYLAMINO)-4-OXOBUTANOIC ACID, 4-oxo-4-(2,4,6-trimethylanilino)butanoic acid, 1-bromo-3,5-dichloro-benzene, 4- -4-OXOBUTANOICACID, 6805AD
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 201741-53-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CCC(=O)O)C |
| InChIKey | PJMRDZKSIBMEJF-UHFFFAOYSA-N |
Product Overview
4-(Mesitylamino)-4-oxobutanoic acid (CAS 201741-53-9), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: 4-oxo-4-(2,4,6-trimethylanilino)butanoic acid.
Chemical Property Profile of 4-(Mesitylamino)-4-oxobutanoic acid
Property Insights of 4-(Mesitylamino)-4-oxobutanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Mesitylamino)-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Mesitylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(Mesitylamino)-4-oxobutanoic 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 4-(Mesitylamino)-4-oxobutanoic acid?
The CAS number of 4-(Mesitylamino)-4-oxobutanoic acid is 201741-53-9.
What is the molecular formula of 4-(Mesitylamino)-4-oxobutanoic acid?
The molecular formula of 4-(Mesitylamino)-4-oxobutanoic acid is C13H17NO3.
What is the molecular weight of 4-(Mesitylamino)-4-oxobutanoic acid?
The molecular weight of 4-(Mesitylamino)-4-oxobutanoic acid is 235.12 g/mol.
Where can I buy 4-(Mesitylamino)-4-oxobutanoic acid?
You can request a quote for 4-(Mesitylamino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Mesitylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Mesitylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.