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CAS 883-38-5 5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 883-38-5

5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE

  • Product code: SSC-198860
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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 883-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

883-38-5 / 5-chloro-1-methyl-3-phenylpyrazole-4-carbaldehyde

Standard CAS: 883-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883-38-5
Multi CAS
No
Molecular Formula
C11H9CLN2O
Molecular Weight
220.650000
Exact Mass
220.040341
InChI
InChI=1S/C11H9ClN2O/c1-14-11(12)9(7-15)10(13-14)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
LIUUTPYWKXCVCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.04
TPSA
34.89

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-2.25

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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