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CAS 39105-39-0 3-CHLORO-1-INDAN-5-YL-PROPAN-1-ONE molecular structure lightbox
CAS RN: 39105-39-0

3-CHLORO-1-INDAN-5-YL-PROPAN-1-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-146710
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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 39105-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

39105-39-0 / 3-chloro-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one

Standard CAS: 39105-39-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39105-39-0
Multi CAS
Yes
Molecular Formula
C12H13CLO
Molecular Weight
208.680000
Exact Mass
208.065493
InChI
InChI=1S/C12H13ClO/c13-7-6-12(14)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2
InChIKey
VTEOHCVWRXWJEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
58.13
TPSA
17.07

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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