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CAS 74169-54-3 1-(4-chlorophenyl)-3,4-dimethyl-Pyrano[2,3-c]pyrazol-6(1H)-one molecular structure lightbox
CAS RN: 74169-54-3

1-(4-chlorophenyl)-3,4-dimethyl-Pyrano[2,3-c]pyrazol-6(1H)-one

  • Product code: SSC-183577
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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: 0.25g
  • 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 74169-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

74169-54-3 / 1-(4-chlorophenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one

Standard CAS: 74169-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74169-54-3
Multi CAS
No
Molecular Formula
C14H11CLN2O2
Molecular Weight
274.700000
Exact Mass
274.050905
InChI
InChI=1S/C14H11ClN2O2/c1-8-7-12(18)19-14-13(8)9(2)16-17(14)11-5-3-10(15)4-6-11/h3-7H,1-2H3
InChIKey
YUUPOEIPCKZQSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
74.09
TPSA
48.03

LogP / Solubility

WLOGP
3.25
MLOGP
2.87
XLogP3
3.2
Consensus LogP
3.11
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
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)
-2.09

Drug-likeness / Medicinal Chemistry

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

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