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CAS 875550-41-7 (S)-b-AMino-4-Methylbenzenepropanol molecular structure lightbox
CAS RN: 875550-41-7

(S)-b-AMino-4-Methylbenzenepropanol

  • Product code: SSC-197662
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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: 5g
  • 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 875550-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

875550-41-7 / 2-amino-3-(4-methylphenyl)propan-1-ol

Standard CAS: 875550-41-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
875550-41-7
Multi CAS
Yes
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
InChI
InChI=1S/C10H15NO/c1-8-2-4-9(5-3-8)6-10(11)7-12/h2-5,10,12H,6-7,11H2,1H3/t10-/m0/s1
InChIKey
KGABCHNHTDSRSH-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.94
TPSA
46.25

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.12

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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