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CAS 2506-41-4 2-(CHLOROMETHYL)NAPHTHALENE molecular structure lightbox
CAS RN: 2506-41-4

2-(CHLOROMETHYL)NAPHTHALENE

  • Product code: SSC-120555
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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: ≥97%
  • 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 2506-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

2506-41-4 / 2-(chloromethyl)naphthalene

Standard CAS: 2506-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2506-41-4
Multi CAS
No
Molecular Formula
C11H9Cl
Molecular Weight
176.640000
Exact Mass
176.039278
SMILES
C1=CC=C2C=C(C=CC2=C1)CCl
InChI
InChI=1S/C11H9Cl/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey
MPCHQYWZAVTABQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
Molar refractivity
53.51
TPSA
0.0000

LogP / Solubility

WLOGP
3.58
MLOGP
3.15
XLogP3
3.5
Consensus LogP
3.41
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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