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CAS 122289-16-1 2-Chloromethyl-7-fluoro-benzooxazole molecular structure lightbox
CAS RN: 122289-16-1

2-Chloromethyl-7-fluoro-benzooxazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-025258
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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
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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 122289-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

122289-16-1 / 2-(chloromethyl)-7-fluoro-1,3-benzoxazole

Standard CAS: 122289-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122289-16-1
Multi CAS
No
Molecular Formula
C8H5ClFNO
Molecular Weight
185.580000
Exact Mass
185.004370
SMILES
C1=CC2=C(C(=C1)F)OC(=N2)CCl
InChI
InChI=1S/C8H5ClFNO/c9-4-7-11-6-3-1-2-5(10)8(6)12-7/h1-3H,4H2
InChIKey
WKHQFMJCRRDYDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
43.52
TPSA
26.03

LogP / Solubility

WLOGP
2.71
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-1.93

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

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