[email protected]
CAS 1213574-69-6 (2S)-2-Amino-2-(3-chloro-5-fluoro-phenyl)-ethanol molecular structure lightbox
CAS RN: 1213574-69-6

(2S)-2-Amino-2-(3-chloro-5-fluoro-phenyl)-ethanol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-023417
GET A QUOTE
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
Request Bulk Quote

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 1213574-69-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1213574-69-6 / (2S)-2-amino-2-(3-chloro-5-fluorophenyl)ethanol

2-amino-2-(3-chloro-5-fluorophenyl)ethan-1-ol | 2-amino-2-(3-chloro-5-fluorophenyl)ethanol | (2S)-2-Amino-2-(3-chloro-5-fluoro-phenyl)-ethanol

Standard CAS: 1213574-69-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213574-69-6
Multi CAS
Yes
Molecular Formula
C8H9ClFNO
Molecular Weight
189.610000
Exact Mass
189.035670
SMILES
C1=C(C=C(C=C1F)Cl)[C@@H](CO)N
InChI
InChI=1S/C8H9ClFNO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2/t8-/m1/s1
InChIKey
PSEARNCXRNCEIO-MRVPVSSYSA-N
Synonyms
2-amino-2-(3-chloro-5-fluorophenyl)ethan-1-ol 2-amino-2-(3-chloro-5-fluorophenyl)ethanol (2S)-2-Amino-2-(3-chloro-5-fluoro-phenyl)-ethanol SCHEMBL16679665 MFCD18704128

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

Customers Also Viewed

Get In Touch

Contact Us