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CAS 94-25-7 Butyl 4-Aminobenzoate molecular structure lightbox
CAS RN: 94-25-7

Butyl 4-Aminobenzoate

  • Product code: SSC-208534
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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: 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 94-25-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

94-25-7 / butyl 4-aminobenzoate

Standard CAS: 94-25-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
94-25-7
Multi CAS
Yes
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
InChI
InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
InChIKey
IUWVALYLNVXWKX-UHFFFAOYSA-N

Physical Properties

Melting Point
136 °F (NTP, 1992) 58 °C
Boiling Point
343 to 345 °F at 8 mmHg (NTP, 1992) 173-174 °C @ 8 mm Hg
Physical Description
N-butyl-p-aminobenzoate is a yellow powder. Insoluble in water. (NTP, 1992) White odorless solid; Nearly insoluble in water; [Hawley] Yellow solid; Insoluble in water; [CAMEO] Faintly beige fine crystals
Appearance
Crystals from alc White powder White, amorphous powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.04
TPSA
52.32

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.9
Consensus LogP
2.36
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

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