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CAS 119999-22-3 6-Bromo-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene molecular structure lightbox
CAS RN: 119999-22-3

6-Bromo-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250208 100g In stock Shanghai Inquiry
Batchno.20260424 10g In stock Shanghai Inquiry
Batchno.20260201 1g In stock Shanghai Inquiry
Batchno.20251110 25g In stock Shanghai Inquiry
Batchno.20260415 500g Out of stock Inquiry
Batchno.20250424 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-020767
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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: ≥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 119999-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

119999-22-3 / 6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

6-Bromo-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene | DTXSID00434624 | RefChem:307285

Standard CAS: 119999-22-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119999-22-3
Multi CAS
No
Molecular Formula
C15H21Br
Molecular Weight
281.230000
Exact Mass
280.082660
SMILES
CC1=CC2=C(C=C1Br)C(CCC2(C)C)(C)C
InChI
InChI=1S/C15H21Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3
InChIKey
ONNHBALCPUEXBT-UHFFFAOYSA-N
Synonyms
6-Bromo-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene DTXSID00434624 RefChem:307285 DTXCID50385450 963-959-2

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Molar refractivity
74.17
TPSA
0.0000

LogP / Solubility

WLOGP
5.11
MLOGP
4.5
XLogP3
6.1
Consensus LogP
5.24
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
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)
-0.81

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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