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CAS 456-59-7 Cyclandelate (mixture of isomers) molecular structure lightbox
CAS RN: 456-59-7

Cyclandelate (mixture of isomers)

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250129 10g Out of stock Inquiry
Batchno.20260412 1g In stock Shanghai Inquiry
Batchno.20260629 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250317 50mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250131 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260620 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-153335
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 456-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

456-59-7 / (3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate

Standard CAS: 456-59-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
456-59-7
Multi CAS
Yes
Molecular Formula
C17H24O3
Molecular Weight
276.400000
Exact Mass
276.172545
InChI
InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
InChIKey
WZHCOOQXZCIUNC-UHFFFAOYSA-N

Physical Properties

Melting Point
50-53 50-53 °C 56 °C
Boiling Point
192-194 °C @ 14 MM HG
Physical Description
Solid
Appearance
CRYSTALS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.08
TPSA
46.53

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
4.2
Consensus LogP
3.58
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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