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CAS 59376-81-7 5-chloro-1,2,3,4-tetrahydronaphthalen-1-aMine molecular structure lightbox
CAS RN: 59376-81-7

5-chloro-1,2,3,4-tetrahydronaphthalen-1-aMine

  • Product code: SSC-167829
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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 59376-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

59376-81-7 / 5-chloro-1,2,3,4-tetrahydronaphthalen-1-amine

Standard CAS: 59376-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59376-81-7
Multi CAS
No
Molecular Formula
C10H12CLN
Molecular Weight
181.660000
Exact Mass
181.065827
InChI
InChI=1S/C10H12ClN/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5,10H,2-3,6,12H2
InChIKey
MPNOKRDWQNPAID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.32
TPSA
26.02

LogP / Solubility

WLOGP
2.68
MLOGP
2.35
XLogP3
2.2
Consensus LogP
2.41
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-1.93

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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