Methyl 4-(4-benzoylanilino)-4-oxobutanoate
TL;DR: Methyl 4-(4-benzoylanilino)-4-oxobutanoate (CAS 306325-22-4) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-benzoylanilino)-4-oxobutanoate
Also Known As: methyl 4-(4-benzoylanilino)-4-oxobutanoate, BIM-0014413.P001, methyl 4-[(4-benzoylphenyl)amino]-4-oxobutanoate, methyl 3-[(4-benzoylphenyl)carbamoyl]propanoate, AN-329/10000057
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 306325-22-4 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | HPUQODUIFVKDEU-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-benzoylanilino)-4-oxobutanoate (CAS 306325-22-4), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: methyl 4-(4-benzoylanilino)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(4-benzoylanilino)-4-oxobutanoate
Property Insights of Methyl 4-(4-benzoylanilino)-4-oxobutanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-benzoylanilino)-4-oxobutanoate. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-benzoylanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-(4-benzoylanilino)-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-benzoylanilino)-4-oxobutanoate?
The CAS number of Methyl 4-(4-benzoylanilino)-4-oxobutanoate is 306325-22-4.
What is the molecular formula of Methyl 4-(4-benzoylanilino)-4-oxobutanoate?
The molecular formula of Methyl 4-(4-benzoylanilino)-4-oxobutanoate is C18H17NO4.
What is the molecular weight of Methyl 4-(4-benzoylanilino)-4-oxobutanoate?
The molecular weight of Methyl 4-(4-benzoylanilino)-4-oxobutanoate is 311.12 g/mol.
Where can I buy Methyl 4-(4-benzoylanilino)-4-oxobutanoate?
You can request a quote for Methyl 4-(4-benzoylanilino)-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-benzoylanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-benzoylanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.