[email protected]
CAS 81577-11-9 1-(3-chlorophenyl)-2,2,2-trifluoroethanol molecular structure lightbox
CAS RN: 81577-11-9

1-(3-chlorophenyl)-2,2,2-trifluoroethanol

  • Product code: SSC-189992
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 5g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 81577-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

81577-11-9 / 1-(3-chlorophenyl)-2,2,2-trifluoroethanol

Standard CAS: 81577-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81577-11-9
Multi CAS
No
Molecular Formula
C8H6CLF3O
Molecular Weight
210.580000
Exact Mass
210.005927
InChI
InChI=1S/C8H6ClF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4,7,13H
InChIKey
IFUMGCOCVZUIRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.47
TPSA
20.23

LogP / Solubility

WLOGP
2.94
MLOGP
2.58
XLogP3
2.8
Consensus LogP
2.77
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us