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CAS 1212863-92-7 (2S)-2-AMINO-2-(2-CHLORO-4-FLUOROPHENYL)ETHAN-1-OL molecular structure lightbox
CAS RN: 1212863-92-7

(2S)-2-AMINO-2-(2-CHLORO-4-FLUOROPHENYL)ETHAN-1-OL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-023103
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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 1212863-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1212863-92-7 / (2S)-2-amino-2-(2-chloro-4-fluorophenyl)ethanol

2-amino-2-(2-chloro-4-fluorophenyl)ethan-1-ol | SCHEMBL8514110 | AKOS006320020

Standard CAS: 1212863-92-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212863-92-7
Multi CAS
Yes
Molecular Formula
C8H9ClFNO
Molecular Weight
189.610000
Exact Mass
189.035670
SMILES
C1=CC(=C(C=C1F)Cl)[C@@H](CO)N
InChI
InChI=1S/C8H9ClFNO/c9-7-3-5(10)1-2-6(7)8(11)4-12/h1-3,8,12H,4,11H2/t8-/m1/s1
InChIKey
YYOIWLGZZGFMGF-MRVPVSSYSA-N
Synonyms
2-amino-2-(2-chloro-4-fluorophenyl)ethan-1-ol SCHEMBL8514110 AKOS006320020 2-amino-2-(2-chloro-4-fluoro-phenyl)ethanol EN300-1232703

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
45.42
TPSA
46.25

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
0.9
Consensus LogP
1.22
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.83

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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