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CAS 6947-15-5 1,2,3,4-TETRAHYDRONAPHTHALEN-2-YLMETHANOL molecular structure lightbox
CAS RN: 6947-15-5

1,2,3,4-TETRAHYDRONAPHTHALEN-2-YLMETHANOL

  • Product code: SSC-179166
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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 6947-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

6947-15-5 / 1,2,3,4-tetrahydronaphthalen-2-ylmethanol

Standard CAS: 6947-15-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6947-15-5
Multi CAS
Yes
Molecular Formula
C11H14O
Molecular Weight
162.230000
Exact Mass
162.104465
InChI
InChI=1S/C11H14O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,9,12H,5-8H2
InChIKey
WWPWWAHQDTYCPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.04
TPSA
20.23

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
2.1
Consensus LogP
1.82
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.44

Drug-likeness / Medicinal Chemistry

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

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