[email protected]
CAS 59256-45-0 4-(4-ETHOXYANILINO)-4-OXOBUTANOIC ACID molecular structure lightbox
CAS RN: 59256-45-0

4-(4-ETHOXYANILINO)-4-OXOBUTANOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS59256-45-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

59256-45-0 / 4-(4-ethoxyanilino)-4-oxobutanoic acid

Standard CAS: 59256-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59256-45-0
Multi CAS
No
Molecular Formula
C12H15NO4
Molecular Weight
237.250000
Exact Mass
237.100108
InChI
InChI=1S/C12H15NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKey
YXCPMPAALKOYQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.11
TPSA
75.63

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1
Consensus LogP
1.52
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us