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CAS 35076-36-9 3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one molecular structure lightbox
CAS RN: 35076-36-9

3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one

  • Product code: SSC-141787
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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: 1g
  • Available purity: ≥95%
  • 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 35076-36-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

35076-36-9 / 3-(dimethylamino)-1-(4-hydroxyphenyl)propan-1-one

Standard CAS: 35076-36-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35076-36-9
Multi CAS
Yes
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
InChI
InChI=1S/C11H15NO2/c1-12(2)8-7-11(14)9-3-5-10(13)6-4-9/h3-6,13H,7-8H2,1-2H3
InChIKey
PWLQUVMOVTVBEH-UHFFFAOYSA-N

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
55.61
TPSA
40.54

LogP / Solubility

WLOGP
1.53
MLOGP
1.34
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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