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CAS 40171-87-7 2-((4-METHYLBENZYL)AMINO)ETHANOL molecular structure lightbox
CAS RN: 40171-87-7

2-((4-METHYLBENZYL)AMINO)ETHANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-148196
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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 40171-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

40171-87-7 / 2-[(4-methylphenyl)methylamino]ethanol

Standard CAS: 40171-87-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40171-87-7
Multi CAS
Yes
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
InChI
InChI=1S/C10H15NO/c1-9-2-4-10(5-3-9)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3
InChIKey
UJPXOHXMJDQRLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.97
TPSA
32.26

LogP / Solubility

WLOGP
1.08
MLOGP
0.94
XLogP3
1.2
Consensus LogP
1.07
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-2.96

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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