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CAS 21564-79-4 Naphthalene,1,2-dihydro-2-m molecular structure lightbox
CAS RN: 21564-79-4

Naphthalene,1,2-dihydro-2-m

  • Product code: SSC-103357
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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 21564-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

21564-79-4 / 2-methyl-1,2-dihydronaphthalene

Standard CAS: 21564-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21564-79-4
Multi CAS
No
Molecular Formula
C11H12
Molecular Weight
144.210000
Exact Mass
144.093900
SMILES
CC1CC2=CC=CC=C2C=C1
InChI
InChI=1S/C11H12/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-7,9H,8H2,1H3
InChIKey
RDYNVYUYKKQXNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.27
Molar refractivity
48.34
TPSA
0.0000

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
3.3
Consensus LogP
2.91
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-1.55

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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