![Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester structure](/static/products/863/86396-51-2.png)
Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester
TL;DR: Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester (CAS 86396-51-2) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methylanilino)-4-oxobutanoate
Also Known As: Maybridge1_001960, methyl 4-(4-methylanilino)-4-oxobutanoate, Methyl 4-oxo-4-(p-tolylamino)butanoate, N-p-Tolyl-succinamic acid methyl ester, BAS 00074660
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 86396-51-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CCC(=O)OC |
| InChIKey | CYAZPJCQYPSCLM-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester (CAS 86396-51-2), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl 4-(4-methylanilino)-4-oxobutanoate.
Chemical Property Profile of Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester
Property Insights of Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester 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 Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester?
The CAS number of Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester is 86396-51-2.
What is the molecular formula of Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester?
The molecular formula of Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester is C12H15NO3.
What is the molecular weight of Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester?
The molecular weight of Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester is 221.11 g/mol.
Where can I buy Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester?
You can request a quote for Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-[(4-methylphenyl)amino]-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.