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CAS 1183075-72-0 1-Phenyl-1-(3-quinolyl)ethanol molecular structure lightbox
CAS RN: 1183075-72-0

1-Phenyl-1-(3-quinolyl)ethanol

  • Product code: SSC-018092
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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 1183075-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1183075-72-0 / 1-phenyl-1-quinolin-3-ylethanol

1-Phenyl-1-(3-quinolyl)ethanol | MFCD12833780 | 1-phenyl-1-(3-quinolinyl)ethanol

Standard CAS: 1183075-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1183075-72-0
Multi CAS
No
Molecular Formula
C17H15NO
Molecular Weight
249.310000
Exact Mass
249.115364
SMILES
CC(C1=CC=CC=C1)(C2=CC3=CC=CC=C3N=C2)O
InChI
InChI=1S/C17H15NO/c1-17(19,14-8-3-2-4-9-14)15-11-13-7-5-6-10-16(13)18-12-15/h2-12,19H,1H3
InChIKey
ANAUVAMLLNNVLV-UHFFFAOYSA-N
Synonyms
1-Phenyl-1-(3-quinolyl)ethanol MFCD12833780 1-phenyl-1-(3-quinolinyl)ethanol SCHEMBL12187804 1-phenyl-1-quinolin-3-ylethanol

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.86
TPSA
33.12

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.2
Consensus LogP
3.26
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

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

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