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CAS 10287-53-3 Ethyl 4-(Dimethylamino)benzoate molecular structure lightbox
CAS RN: 10287-53-3

Ethyl 4-(Dimethylamino)benzoate

  • Product code: SSC-004209
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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: 100g
  • 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 10287-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

10287-53-3 / ethyl 4-(dimethylamino)benzoate

Ethyl 4-dimethylaminobenzoate | Parbenate | Ethyl 4-(dimethylamino)benzoate

Standard CAS: 10287-53-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10287-53-3
Multi CAS
Yes
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CCOC(=O)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
InChIKey
FZUGPQWGEGAKET-UHFFFAOYSA-N
Synonyms
Ethyl 4-dimethylaminobenzoate Parbenate Ethyl 4-(dimethylamino)benzoate Kayacure EPA Benzoic acid, 4-(dimethylamino)-, ethyl ester

Physical Properties

Physical Description
Pellets or Large Crystals; NKRA White crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.73
TPSA
29.54

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
2.9
Consensus LogP
2.18
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-2.53

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H360 (18.5%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360F (23.9%): May damage fertility [Danger Reproductive toxicity] H411 (44%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501

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