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CAS 1707-95-5 BINDONE molecular structure lightbox
CAS RN: 1707-95-5

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250909 1g In stock Inquiry
Batchno.20250615 200mg In stock Inquiry
Batchno.20251221 25g In stock Inquiry
Batchno.20250801 5g In stock Inquiry
  • Product code: SSC-075150
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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: ≥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 1707-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1707-95-5 / 2-(3-oxoinden-1-ylidene)indene-1,3-dione

Standard CAS: 1707-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1707-95-5
Multi CAS
No
Molecular Formula
C18H10O3
Molecular Weight
274.300000
Exact Mass
274.062994
SMILES
C1C(=C2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4C1=O
InChI
InChI=1S/C18H10O3/c19-15-9-14(10-5-1-2-6-11(10)15)16-17(20)12-7-3-4-8-13(12)18(16)21/h1-8H,9H2
InChIKey
YMFDOLAAUHRURP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.06
H-bond acceptors
3
Molar refractivity
77.41
TPSA
51.21

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
2.6
Consensus LogP
2.82
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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