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CAS 1517-82-4 (1R,2S,5R)-(-)-Menthyl (S)-p-Toluenesulfinate molecular structure lightbox
CAS RN: 1517-82-4

(1R,2S,5R)-(-)-Menthyl (S)-p-Toluenesulfinate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260317 100g In stock Inquiry
Batchno.20260607 1g In stock Inquiry
Batchno.20250315 25g In stock Inquiry
Batchno.20260630 5g In stock Inquiry
  • Product code: SSC-061518
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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: 25g
  • Available purity: ≥97%
  • 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 1517-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

1517-82-4 / [(1S)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate

Standard CAS: 1517-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1517-82-4
Multi CAS
No
Molecular Formula
C17H26O2S
Molecular Weight
294.500000
Exact Mass
294.165351
SMILES
CC1CCC([C@H](C1)OS(=O)C2=CC=C(C=C2)C)C(C)C
InChI
InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14?,16?,17-,20?/m0/s1
InChIKey
NQICGNSARVCSGJ-UPSPKRPTSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
83.8
TPSA
26.3

LogP / Solubility

WLOGP
4.5
MLOGP
3.97
XLogP3
5.3
Consensus LogP
4.59
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
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)
-1.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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