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CAS 145-94-8 7-CHLORO-4-INDANOL molecular structure lightbox
CAS RN: 145-94-8

7-CHLORO-4-INDANOL

Product Availability

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 100mg Out of stock Inquiry
Batchno.20260601 1g Out of stock Inquiry
Batchno.20250112 250mg Out of stock Inquiry
Batchno.20260530 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20251202 5g Out of stock Inquiry
  • Product code: SSC-056378
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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 145-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

145-94-8 / 7-chloro-2,3-dihydro-1H-inden-4-ol

Standard CAS: 145-94-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
145-94-8
Multi CAS
No
Molecular Formula
C9H9ClO
Molecular Weight
168.620000
Exact Mass
168.034193
SMILES
C1CC2=C(C=CC(=C2C1)Cl)O
InChI
InChI=1S/C9H9ClO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2
InChIKey
ATAJVFBUUIBIEO-UHFFFAOYSA-N

Physical Properties

Melting Point
91-93 °C
Appearance
NEEDLES FROM PETROLEUM ETHER

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.14
TPSA
20.23

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
3
Consensus LogP
2.59
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-1.95

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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