![4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid structure](/static/products/6087/60870-17-9.webp)
4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid (CAS 60870-17-9) is a chemical compound with molecular formula C17H15ClN2O4 and molecular weight 346.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzamido-3-chloroanilino)-4-oxobutanoic acid
Also Known As: CBKinase1_000917, CBKinase1_013317, 4-{[4-(benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid, 4-(4-benzamido-3-chloroanilino)-4-oxobutanoic acid, BIM-0043714.P001
| Molecular Formula | C17H15ClN2O4 |
|---|---|
| Molecular Weight | 346.07 g/mol |
| LogP | 3.3956 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.07202 |
| Heavy Atoms | 24 |
| Complexity | 762.4408 |
Chemical Identifiers
| CAS Number | 60870-17-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)Cl |
Product Overview
4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid (CAS 60870-17-9), with molecular formula C17H15ClN2O4 and molecular weight 346.07 g/mol. IUPAC: 4-(4-benzamido-3-chloroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid
The XLogP value of 3.3956 indicates that 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid has 3 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-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid is 60870-17-9.
What is the molecular formula of 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid is C17H15ClN2O4.
What is the molecular weight of 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid is 346.07 g/mol.
Where can I buy 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(Benzoylamino)-3-chlorophenyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.