[email protected]
CAS 94-32-6 Ethyl 4-(Butylamino)benzoate molecular structure lightbox
CAS RN: 94-32-6

Ethyl 4-(Butylamino)benzoate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: SSC-208539
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 94-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

94-32-6 / ethyl 4-(butylamino)benzoate

Standard CAS: 94-32-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
94-32-6
Multi CAS
Yes
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
InChI
InChI=1S/C13H19NO2/c1-3-5-10-14-12-8-6-11(7-9-12)13(15)16-4-2/h6-9,14H,3-5,10H2,1-2H3
InChIKey
GTXRSQYDLPYYNW-UHFFFAOYSA-N

Physical Properties

Physical Description
Light yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.8
TPSA
38.33

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
4.1
Consensus LogP
3.3
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly 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)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us