![Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate structure](/static/products/863/86396-53-4.png)
Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate
TL;DR: Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate (CAS 86396-53-4) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxyanilino)-4-oxobutanoate
Also Known As: methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate, methyl 4-(4-methoxyanilino)-4-oxobutanoate, BB 0262996, methyl 4-((4-methoxyphenyl)amino)-4-oxobutanoate, methyl 3-[(4-methoxyphenyl)carbamoyl]propanoate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 86396-53-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CCC(=O)OC |
| InChIKey | STGKRNDWPSTZMI-UHFFFAOYSA-N |
Product Overview
Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate (CAS 86396-53-4), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: methyl 4-(4-methoxyanilino)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate
Property Insights of Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate has 1 hydrogen bond donor(s) and 4 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 Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate?
The CAS number of Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate is 86396-53-4.
What is the molecular formula of Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate?
The molecular formula of Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate is C12H15NO4.
What is the molecular weight of Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate?
The molecular weight of Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate is 237.10 g/mol.
Where can I buy Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate?
You can request a quote for Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(4-methoxyphenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.