[email protected]
CAS 916806-97-8 Siponimod molecular structure lightbox
CAS RN: 916806-97-8

Siponimod

  • Product code: SSC-205070
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, 0.1g, 0.25g
  • 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 916806-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
5g -- 2 In Stock Shenzhen Inquiry
5g ≥97% 2 In Stock Shanghai Inquiry
0.1g -- 0 Out of Stock Hong Kong Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
0.25g -- 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

916806-97-8 / 4-cyclohexyl-3-(trifluoromethyl)benzoic acid

Standard CAS: 916806-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916806-97-8
Multi CAS
No
Molecular Formula
C14F3H15O2
Molecular Weight
272.260000
Exact Mass
272.102414
InChI
InChI=1S/C14H15F3O2/c15-14(16,17)12-8-10(13(18)19)6-7-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,18,19)
InChIKey
XIWQGDFYIINJLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.23
TPSA
37.3

LogP / Solubility

WLOGP
4.45
MLOGP
3.93
XLogP3
4.9
Consensus LogP
4.43
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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)
-1.22

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