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CAS 202667-45-6 1,2,3,5-TETRAHYDRO-6-METHYL-S-INDACENE molecular structure lightbox
CAS RN: 202667-45-6

1,2,3,5-TETRAHYDRO-6-METHYL-S-INDACENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 100mg / 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-095434
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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: 1g
  • 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 202667-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

202667-45-6 / 6-methyl-1,2,3,5-tetrahydro-s-indacene

Standard CAS: 202667-45-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
202667-45-6
Multi CAS
No
Molecular Formula
C13H14
Molecular Weight
170.250000
Exact Mass
170.109550
SMILES
CC1=CC2=C(C1)C=C3CCCC3=C2
InChI
InChI=1S/C13H14/c1-9-5-12-7-10-3-2-4-11(10)8-13(12)6-9/h5,7-8H,2-4,6H2,1H3
InChIKey
AHMSERHYRMNFKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Molar refractivity
55.82
TPSA
0.0000

LogP / Solubility

WLOGP
3.13
MLOGP
2.75
XLogP3
3.5
Consensus LogP
3.13
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-1.53

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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