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CAS 1314139-85-9 5,6,7,8-Tetrahydrocyclohepta[c]pyrazol-4(1H)-one molecular structure lightbox
CAS RN: 1314139-85-9

5,6,7,8-Tetrahydrocyclohepta[c]pyrazol-4(1H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-038270
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1314139-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
5g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1314139-85-9 / 5,6,7,8-tetrahydro-1H-cyclohepta[d]pyrazol-4-one

Standard CAS: 1314139-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314139-85-9
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
SMILES
C1CCC(=O)C2=C(C1)NN=C2
InChI
InChI=1S/C8H10N2O/c11-8-4-2-1-3-7-6(8)5-9-10-7/h5H,1-4H2,(H,9,10)
InChIKey
HEPGGNNLMPWTLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.47
TPSA
45.75

LogP / Solubility

WLOGP
1.32
MLOGP
1.15
XLogP3
0.7
Consensus LogP
1.06
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-2.7

Drug-likeness / Medicinal Chemistry

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

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