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CAS 40172-06-3 2-(3,4-DICHLORO-BENZYLAMINO)-ETHANOL molecular structure lightbox
CAS RN: 40172-06-3

2-(3,4-DICHLORO-BENZYLAMINO)-ETHANOL

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 100g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260131 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260302 25g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250829 500g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250430 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-148197
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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: ＞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 40172-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

40172-06-3 / 2-[(3,4-dichlorophenyl)methylamino]ethanol

Standard CAS: 40172-06-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40172-06-3
Multi CAS
Yes
Molecular Formula
C9H11CL2NO
Molecular Weight
220.090000
Exact Mass
219.021769
InChI
InChI=1S/C9H11Cl2NO/c10-8-2-1-7(5-9(8)11)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2
InChIKey
VIYIYSBQARQLCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.25
TPSA
32.26

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
2.3
Consensus LogP
2.07
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
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)
-2.59

Drug-likeness / Medicinal Chemistry

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

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