[email protected]
CAS 133937-72-1 trans,trans-4′-Propyl-4-(4-trifluoromethoxyphenyl)bicyclohexyl molecular structure lightbox
CAS RN: 133937-72-1

trans,trans-4′-Propyl-4-(4-trifluoromethoxyphenyl)bicyclohexyl

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 10g In stock Shenzhen, Tianjin Inquiry
Batchno.20250618 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250129 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20260617 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-041032
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: 25g
  • Available purity: ＞97%
  • 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 133937-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

133937-72-1 / 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene

Standard CAS: 133937-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133937-72-1
Multi CAS
No
Molecular Formula
C22H31F3O
Molecular Weight
368.500000
Exact Mass
368.232700
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C22H31F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-19H,2-11H2,1H3
InChIKey
AJQMFUYBFQQAKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
98.18
TPSA
9.23

LogP / Solubility

WLOGP
7.47
MLOGP
6.59
XLogP3
9.4
Consensus LogP
7.82
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-7.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us