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CAS 131028-54-1 [4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL]METHANOL molecular structure lightbox
CAS RN: 131028-54-1

[4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL]METHANOL

  • Product code: SSC-037641
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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 131028-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

131028-54-1 / [4-[2-(dimethylamino)ethoxy]phenyl]methanol

Standard CAS: 131028-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131028-54-1
Multi CAS
No
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
SMILES
CN(C)CCOC1=CC=C(C=C1)CO
InChI
InChI=1S/C11H17NO2/c1-12(2)7-8-14-11-5-3-10(9-13)4-6-11/h3-6,13H,7-9H2,1-2H3
InChIKey
YRIVJGAEWBORLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.41
TPSA
32.7

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.46
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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