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CAS 90357-51-0 N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide molecular structure lightbox
CAS RN: 90357-51-0

N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260421 100g Out of stock Inquiry
Batchno.20251107 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250914 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260628 5g In stock Shanghai Inquiry
  • Product code: SSC-202853
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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: 25g, 5g, 10g, 100g
  • 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 90357-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
10g ≥95% 4 In Stock Beijing Inquiry
100g ≥95% 2 In Stock Shanghai Inquiry

90357-51-0 / N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

Standard CAS: 90357-51-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90357-51-0
Multi CAS
Yes
Molecular Formula
C12F3H9N2O2
Molecular Weight
270.210000
Exact Mass
270.061612
InChI
InChI=1S/C12H9F3N2O2/c1-11(6-19-11)10(18)17-8-3-2-7(5-16)9(4-8)12(13,14)15/h2-4H,6H2,1H3,(H,17,18)
InChIKey
UQUQTWDUTIAAAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.15
TPSA
65.42

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
1.6
Consensus LogP
1.98
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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