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CAS 124702-80-3 56-dihydroxy-indan-1- molecular structure lightbox
CAS RN: 124702-80-3

56-dihydroxy-indan-1-

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251003 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250704 1g Out of stock 8-10 business days Inquiry
Batchno.20250717 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260323 25g In stock Shanghai Inquiry
Batchno.20251212 25g In stock Shanghai Inquiry
Batchno.20251020 5g In stock Shanghai, Shenzhen Inquiry
Batchno.20251215 5g In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-028822
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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: 5g
  • Available purity: ＞97%
  • 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 124702-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

124702-80-3 / 5,6-dihydroxy-2,3-dihydroinden-1-one

Standard CAS: 124702-80-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124702-80-3
Multi CAS
No
Molecular Formula
C9H8O3
Molecular Weight
164.160000
Exact Mass
164.047344
SMILES
C1CC(=O)C2=CC(=C(C=C21)O)O
InChI
InChI=1S/C9H8O3/c10-7-2-1-5-3-8(11)9(12)4-6(5)7/h3-4,11-12H,1-2H2
InChIKey
WMDAUVLSCBKCBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.42
TPSA
57.53

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1
Consensus LogP
1.1
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-2.85

Drug-likeness / Medicinal Chemistry

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

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