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CAS 21145-77-7 6-ACETYL-1,1,2,4,4,7-HEXAMETHYLTETRALIN molecular structure lightbox
CAS RN: 21145-77-7

6-ACETYL-1,1,2,4,4,7-HEXAMETHYLTETRALIN

Product Availability

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9 package records9 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260310 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251031 10g In stock Shanghai Inquiry
Batchno.20260510 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250808 1kg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250203 250mg In stock Shanghai Inquiry
Batchno.20251103 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong 5-7 business days Inquiry
Batchno.20260430 25g In stock Shenzhen Inquiry
Batchno.20260417 500g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250421 5g In stock Shanghai Inquiry
  • Product code: SSC-101008
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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: 100g
  • 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 21145-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

21145-77-7 / 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone

Standard CAS: 21145-77-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21145-77-7
Multi CAS
No
Molecular Formula
C18H26O
Molecular Weight
258.400000
Exact Mass
258.198365
SMILES
CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C
InChI
InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
InChIKey
DNRJTBAOUJJKDY-UHFFFAOYSA-N

Physical Properties

Melting Point
54.5 °C
Boiling Point
The boiling temperature at atmospheric pressure is 326 +/- 4 °C.
Density
The relative density will be between the bulk density and its density in molten form: 600 < D < 960 kg/cu m
Physical Description
Liquid; Other Solid Solid with an odor of musk; [HSDB]
Appearance
White to off-white crystalline solid Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
81.02
TPSA
17.07

LogP / Solubility

WLOGP
4.79
MLOGP
4.22
XLogP3
5.3
Consensus LogP
4.77
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
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)
-0.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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