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CAS 1184839-78-8 2-Amino-2-(2,4-dichlorophenyl)ethanol molecular structure lightbox
CAS RN: 1184839-78-8

2-Amino-2-(2,4-dichlorophenyl)ethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260109 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-018247
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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: ＞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 1184839-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

1184839-78-8 / 2-amino-2-(2,4-dichlorophenyl)ethanol

2-amino-2-(2,4-dichlorophenyl)ethanol | 2-AMINO-2-(2,4-DICHLOROPHENYL)ETHAN-1-OL | MFCD12782009

Standard CAS: 1184839-78-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1184839-78-8
Multi CAS
No
Molecular Formula
C8H9Cl2NO
Molecular Weight
206.070000
Exact Mass
205.006119
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CO)N
InChI
InChI=1S/C8H9Cl2NO/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8,12H,4,11H2
InChIKey
VWMOCFARWTYBNT-UHFFFAOYSA-N
Synonyms
2-amino-2-(2,4-dichlorophenyl)ethanol 2-AMINO-2-(2,4-DICHLOROPHENYL)ETHAN-1-OL MFCD12782009 SCHEMBL10396654 AKOS005265514

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
50.48
TPSA
46.25

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.57

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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