[email protected]
CAS 195737-22-5 2-Chloro-6,7-difluorobenzoxazole molecular structure lightbox
CAS RN: 195737-22-5

2-Chloro-6,7-difluorobenzoxazole

  • Product code: SSC-092574
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 195737-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

195737-22-5 / 2-chloro-6,7-difluoro-1,3-benzoxazole

Standard CAS: 195737-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
195737-22-5
Multi CAS
No
Molecular Formula
C7H2ClF2NO
Molecular Weight
189.540000
Exact Mass
188.979298
SMILES
C1=CC(=C(C2=C1N=C(O2)Cl)F)F
InChI
InChI=1S/C7H2ClF2NO/c8-7-11-4-2-1-3(9)5(10)6(4)12-7/h1-2H
InChIKey
CFIFJVIHMFCZDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
38.94
TPSA
26.03

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-1.92

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us