4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate
TL;DR: 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate (CAS 327065-45-2) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 4-(3,4-dimethylanilino)-4-oxobutanoate
Also Known As: 4-methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate, (4-methylphenyl) 4-(3,4-dimethylanilino)-4-oxobutanoate, 4-methylphenyl 4-[(3,4-dimethylphenyl)amino]-4-oxobutanoate, AN-329/40805558, 4-methylphenyl 3-[N-(3,4-dimethylphenyl)carbamoyl]propanoate
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 327065-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC(=C(C=C2)C)C |
| InChIKey | YLSDKNGCOXXPTC-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate (CAS 327065-45-2), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: (4-methylphenyl) 4-(3,4-dimethylanilino)-4-oxobutanoate.
Chemical Property Profile of 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate
Property Insights of 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate
The XLogP value of 3.5 indicates that 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate 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 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate?
The CAS number of 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate is 327065-45-2.
What is the molecular formula of 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate?
The molecular formula of 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate is C19H21NO3.
What is the molecular weight of 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate?
The molecular weight of 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate is 311.15 g/mol.
Where can I buy 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate?
You can request a quote for 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 4-(3,4-dimethylanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.