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CAS 471915-89-6 N-(3,4-Dihydroxyphenethyl)methacrylamide molecular structure lightbox
CAS RN: 471915-89-6

N-(3,4-Dihydroxyphenethyl)methacrylamide

  • Product code: SSC-154147
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g, 10g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 471915-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
10g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

471915-89-6 / N-[2-(3,4-dihydroxyphenyl)ethyl]-2-methylprop-2-enamide

Standard CAS: 471915-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
471915-89-6
Multi CAS
No
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
InChI
InChI=1S/C12H15NO3/c1-8(2)12(16)13-6-5-9-3-4-10(14)11(15)7-9/h3-4,7,14-15H,1,5-6H2,2H3,(H,13,16)
InChIKey
NQIMONOHVBBZKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
61.3
TPSA
69.56

LogP / Solubility

WLOGP
1.33
MLOGP
1.18
XLogP3
0.2
Consensus LogP
0.9
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-3.12

Drug-likeness / Medicinal Chemistry

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

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