[email protected]
CAS 21245-02-3 2-Ethylhexyl 4-(Dimethylamino)benzoate molecular structure lightbox
CAS RN: 21245-02-3

2-Ethylhexyl 4-(Dimethylamino)benzoate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 100g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250420 1kg In stock Shanghai, Shenzhen Inquiry
Batchno.20250531 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251215 500g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-101478
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: ≥98%
  • 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 21245-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

21245-02-3 / 2-ethylhexyl 4-(dimethylamino)benzoate

Standard CAS: 21245-02-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21245-02-3
Multi CAS
No
Molecular Formula
C17H27NO2
Molecular Weight
277.400000
Exact Mass
277.204179
SMILES
CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3
InChIKey
WYWZRNAHINYAEF-UHFFFAOYSA-N

Physical Properties

Boiling Point
325 °C
Density
0.995 g/cu cm at 25 °C
Physical Description
Liquid Pale yellow liquid
Appearance
Light yellow, mobile liquid Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
84.36
TPSA
29.54

LogP / Solubility

WLOGP
4.13
MLOGP
3.64
XLogP3
5
Consensus LogP
4.26
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us