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CAS 530-91-6 1,2,3,4-TETRAHYDRO-2-NAPHTHOL molecular structure lightbox
CAS RN: 530-91-6

1,2,3,4-TETRAHYDRO-2-NAPHTHOL

  • Product code: SSC-160175
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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, 5g, 10g
  • Available purity: ≥98%
  • 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 530-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

530-91-6 / 1,2,3,4-tetrahydronaphthalen-2-ol

Standard CAS: 530-91-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
530-91-6
Multi CAS
Yes
Molecular Formula
C10H12O
Molecular Weight
148.200000
Exact Mass
148.088815
InChI
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2
InChIKey
JWQYZECMEPOAPF-UHFFFAOYSA-N

Physical Properties

Melting Point
15.5 °C
Boiling Point
140 °C @ 12 MM HG
Physical Description
Liquid; [Merck Index]
Appearance
LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.47
TPSA
20.23

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
2.3
Consensus LogP
1.73
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-2.53

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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