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CAS 17610-21-8 1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE molecular structure lightbox
CAS RN: 17610-21-8

1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-077190
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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: 0.25g
  • 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 17610-21-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

17610-21-8 / 1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone

Standard CAS: 17610-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17610-21-8
Multi CAS
No
Molecular Formula
C16H22O
Molecular Weight
230.340000
Exact Mass
230.167065
SMILES
CC(=O)C1=CC2=C(C=C1)C(CCC2(C)C)(C)C
InChI
InChI=1S/C16H22O/c1-11(17)12-6-7-13-14(10-12)16(4,5)9-8-15(13,2)3/h6-7,10H,8-9H2,1-5H3
InChIKey
IHUSZOMIBSDQTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
71.73
TPSA
17.07

LogP / Solubility

WLOGP
4.24
MLOGP
3.73
XLogP3
4.7
Consensus LogP
4.22
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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