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CAS 885271-39-6 6-BENZYLOXY-1H-INDAZOLE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 885271-39-6

6-BENZYLOXY-1H-INDAZOLE-3-CARBALDEHYDE

  • Product code: SSC-199312
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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 885271-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

885271-39-6 / 6-phenylmethoxy-2H-indazole-3-carbaldehyde

Standard CAS: 885271-39-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885271-39-6
Multi CAS
Yes
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
InChI
InChI=1S/C15H12N2O2/c18-9-15-13-7-6-12(8-14(13)16-17-15)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKey
LFUOXXIRMKMJLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.26
TPSA
54.98

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.8
Consensus LogP
2.79
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
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)
-2.16

Drug-likeness / Medicinal Chemistry

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

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