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CAS 2055576-85-5 (2S)-2-AMINO-2-(5-CHLORO-3-FLUOROPHENYL)ETHAN-1-OL HYDROCHLORIDE molecular structure lightbox
CAS RN: 2055576-85-5

(2S)-2-AMINO-2-(5-CHLORO-3-FLUOROPHENYL)ETHAN-1-OL HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-096753
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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: ≥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 2055576-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

2055576-85-5 / (2S)-2-amino-2-(3-chloro-5-fluorophenyl)ethanol;hydrochloride

Standard CAS: 2055576-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055576-85-5
Multi CAS
No
Molecular Formula
C8H10Cl2FNO
Molecular Weight
226.070000
Exact Mass
225.012348
SMILES
C1=C(C=C(C=C1F)Cl)[C@@H](CO)N.Cl
InChI
InChI=1S/C8H9ClFNO.ClH/c9-6-1-5(8(11)4-12)2-7(10)3-6;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKey
VKQRLRQTSDDQKY-DDWIOCJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.67
TPSA
46.25

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.89
Consensus LogP
1.82
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.76

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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