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CAS 425366-61-6 Benzenemethanol, a-(aminomethyl)-4-chloro-, hydrochloride, (aS)- molecular structure lightbox
CAS RN: 425366-61-6

Benzenemethanol, a-(aminomethyl)-4-chloro-, hydrochloride, (aS)-

  • Product code: SSC-150831
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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: 0.25g
  • 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 425366-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

425366-61-6 / (1S)-2-amino-1-(4-chlorophenyl)ethanol;hydrochloride

Standard CAS: 425366-61-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
425366-61-6
Multi CAS
Yes
Molecular Formula
C8H11CL2NO
Molecular Weight
208.080000
Exact Mass
207.021769
InChI
InChI=1S/C8H10ClNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4,8,11H,5,10H2;1H/t8-;/m1./s1
InChIKey
UZMQBTSMAZWEOT-DDWIOCJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.71
TPSA
46.25

LogP / Solubility

WLOGP
1.75
MLOGP
1.54
XLogP3
1.75
Consensus LogP
1.68
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.74

Drug-likeness / Medicinal Chemistry

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

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