[email protected]
CAS 153403-54-4 7-Fluorobenzoxazole-2(3H)-thione molecular structure lightbox
CAS RN: 153403-54-4

7-Fluorobenzoxazole-2(3H)-thione

  • Product code: SSC-062865
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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 153403-54-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry

153403-54-4 / 7-fluoro-3H-1,3-benzoxazole-2-thione

Standard CAS: 153403-54-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153403-54-4
Multi CAS
No
Molecular Formula
C7H4FNOS
Molecular Weight
169.180000
Exact Mass
168.999763
SMILES
C1=CC2=C(C(=C1)F)OC(=S)N2
InChI
InChI=1S/C7H4FNOS/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H,9,11)
InChIKey
KQULXBZFTSJHJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.36
TPSA
28.93

LogP / Solubility

WLOGP
2.63
MLOGP
2.31
XLogP3
1.8
Consensus LogP
2.25
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
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
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us