[email protected]
CAS 1153105-44-2 4-(4-Chlorophenoxy)-3-fluorobenzonitrile molecular structure lightbox
CAS RN: 1153105-44-2

4-(4-Chlorophenoxy)-3-fluorobenzonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-015070
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1153105-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1153105-44-2 / 4-(4-chlorophenoxy)-3-fluorobenzonitrile

4-(4-chlorophenoxy)-3-fluorobenzonitrile | SCHEMBL29255047 | DWB10544

Standard CAS: 1153105-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1153105-44-2
Multi CAS
No
Molecular Formula
C13H7ClFNO
Molecular Weight
247.650000
Exact Mass
247.020020
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)C#N)F)Cl
InChI
InChI=1S/C13H7ClFNO/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-16)7-12(13)15/h1-7H
InChIKey
SAVHBKZESJHQDD-UHFFFAOYSA-N
Synonyms
4-(4-chlorophenoxy)-3-fluorobenzonitrile SCHEMBL29255047 DWB10544 MFCD12110251 AKOS009851593

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
62.64
TPSA
33.02

LogP / Solubility

WLOGP
4.14
MLOGP
3.65
XLogP3
3.9
Consensus LogP
3.9
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us