[email protected]
CAS 135270-07-4 1-(((2S,3R)-2-(2,4-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole molecular structure lightbox
CAS RN: 135270-07-4

1-(((2S,3R)-2-(2,4-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole

  • Product code: SSC-043354
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 135270-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

135270-07-4 / 1-[[(2S,3R)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

Standard CAS: 135270-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
135270-07-4
Multi CAS
No
Molecular Formula
C12H11F2N3O
Molecular Weight
251.230000
Exact Mass
251.087018
SMILES
C[C@@H]1[C@@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m1/s1
InChIKey
QANJLSHZDUOBBP-PELKAZGASA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
58.61
TPSA
43.24

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

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
2.5

Customers Also Viewed

Get In Touch

Contact Us