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CAS 304693-70-7 1H-Pyrazole-4-carboxaldehyde, 1-(2-methoxyethyl)- (9CI) molecular structure lightbox
CAS RN: 304693-70-7

1H-Pyrazole-4-carboxaldehyde, 1-(2-methoxyethyl)- (9CI)

  • Product code: SSC-134929
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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 304693-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

304693-70-7 / 1-(2-methoxyethyl)pyrazole-4-carbaldehyde

Standard CAS: 304693-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
304693-70-7
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
InChI
InChI=1S/C7H10N2O2/c1-11-3-2-9-5-7(6-10)4-8-9/h4-6H,2-3H2,1H3
InChIKey
OZCYWOQGSFDUNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
39.49
TPSA
44.12

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
-0.5
Consensus LogP
0.05
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.42

Drug-likeness / Medicinal Chemistry

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

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