[email protected]
CAS 109086-18-2 2-[3,5-Bis(trifluoroMethyl)phenyl]oxirane molecular structure lightbox
CAS RN: 109086-18-2

2-[3,5-Bis(trifluoroMethyl)phenyl]oxirane

  • Product code: SSC-010238
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: 0.1g, 0.25g, 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 109086-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

109086-18-2 / 2-[3,5-bis(trifluoromethyl)phenyl]oxirane

2-[3,5-bis(trifluoromethyl)phenyl]oxirane | MFCD16503160 | 2-(3,5-Bis(trifluoromethyl)phenyl)oxirane

Standard CAS: 109086-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
109086-18-2
Multi CAS
No
Molecular Formula
C10H6F6O
Molecular Weight
256.140000
Exact Mass
256.032284
SMILES
C1C(O1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H6F6O/c11-9(12,13)6-1-5(8-4-17-8)2-7(3-6)10(14,15)16/h1-3,8H,4H2
InChIKey
PWWXYDYIZYOBEG-UHFFFAOYSA-N
Synonyms
2-[3,5-bis(trifluoromethyl)phenyl]oxirane MFCD16503160 2-(3,5-Bis(trifluoromethyl)phenyl)oxirane 3,5-bis(Trifluoromethyl)styrene Oxide SCHEMBL532105

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.14
TPSA
12.53

LogP / Solubility

WLOGP
3.8
MLOGP
3.35
XLogP3
3.1
Consensus LogP
3.42
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

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
2

Customers Also Viewed

Get In Touch

Contact Us