Methyl 4-(4-carbamoylanilino)-4-oxobutanoate
TL;DR: Methyl 4-(4-carbamoylanilino)-4-oxobutanoate (CAS 306325-20-2) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
Also Known As: CBKinase1_000306, CBKinase1_012706, methyl 4-(4-carbamoylanilino)-4-oxobutanoate, methyl 4-[(4-carbamoylphenyl)amino]-4-oxobutanoate, AN-329/09955018
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 306325-20-2 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC=C(C=C1)C(=O)N |
| InChIKey | UZJKBFICTQSPHA-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-carbamoylanilino)-4-oxobutanoate (CAS 306325-20-2), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: methyl 4-(4-carbamoylanilino)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(4-carbamoylanilino)-4-oxobutanoate
Property Insights of Methyl 4-(4-carbamoylanilino)-4-oxobutanoate
The XLogP value of -0.3 indicates that Methyl 4-(4-carbamoylanilino)-4-oxobutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-carbamoylanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-(4-carbamoylanilino)-4-oxobutanoate has 2 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-carbamoylanilino)-4-oxobutanoate?
The CAS number of Methyl 4-(4-carbamoylanilino)-4-oxobutanoate is 306325-20-2.
What is the molecular formula of Methyl 4-(4-carbamoylanilino)-4-oxobutanoate?
The molecular formula of Methyl 4-(4-carbamoylanilino)-4-oxobutanoate is C12H14N2O4.
What is the molecular weight of Methyl 4-(4-carbamoylanilino)-4-oxobutanoate?
The molecular weight of Methyl 4-(4-carbamoylanilino)-4-oxobutanoate is 250.10 g/mol.
Where can I buy Methyl 4-(4-carbamoylanilino)-4-oxobutanoate?
You can request a quote for Methyl 4-(4-carbamoylanilino)-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-carbamoylanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-carbamoylanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.