[email protected]
CAS 404-90-0 3-FLUORO-4-METHOXYPHENYLACETONITRILE molecular structure lightbox
CAS RN: 404-90-0

3-FLUORO-4-METHOXYPHENYLACETONITRILE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260503 10g Out of stock Inquiry
Batchno.20251101 1g In stock Inquiry
Batchno.20260608 25g In stock Inquiry
Batchno.20251127 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250218 1g In stock Shanghai Inquiry
  • Product code: SSC-148568
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: 1g, 5g, 10g, 25g, 1000g
  • Available purity: >97%
  • 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 404-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Beijing Inquiry
1g >97% 4 In Stock Shanghai Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

404-90-0 / 2-(3-fluoro-4-methoxyphenyl)acetonitrile

Standard CAS: 404-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
404-90-0
Multi CAS
No
Molecular Formula
C9FH8NO
Molecular Weight
165.160000
Exact Mass
165.058992
InChI
InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
InChIKey
OFCMGCZEFVKTAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.27
TPSA
33.02

LogP / Solubility

WLOGP
1.9
MLOGP
1.67
XLogP3
1.3
Consensus LogP
1.62
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

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