[email protected]
CAS 22091-39-0 4-CHLOROMETHYL-2-(4-FLUOROPHENYL) OXAZOLE molecular structure lightbox
CAS RN: 22091-39-0

4-CHLOROMETHYL-2-(4-FLUOROPHENYL) OXAZOLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250107 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS22091-39-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

22091-39-0 / 4-(chloromethyl)-2-(4-fluorophenyl)-1,3-oxazole

Standard CAS: 22091-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22091-39-0
Multi CAS
No
Molecular Formula
C10H7ClFNO
Molecular Weight
211.620000
Exact Mass
211.020020
SMILES
C1=CC(=CC=C1C2=NC(=CO2)CCl)F
InChI
InChI=1S/C10H7ClFNO/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
GVPZSTFLDSJXRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.45
TPSA
26.03

LogP / Solubility

WLOGP
3.22
MLOGP
2.83
XLogP3
2.5
Consensus LogP
2.85
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us