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CAS 1211524-73-0 3-Pyridinecarboxaldehyde, 5-(1-methylethyl)- molecular structure lightbox
CAS RN: 1211524-73-0

3-Pyridinecarboxaldehyde, 5-(1-methylethyl)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-022601
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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 1211524-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1211524-73-0 / 5-propan-2-ylpyridine-3-carbaldehyde

5-Isopropylnicotinaldehyde | 5-(propan-2-yl)pyridine-3-carbaldehyde | MFCD18256094

Standard CAS: 1211524-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211524-73-0
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
CC(C)C1=CN=CC(=C1)C=O
InChI
InChI=1S/C9H11NO/c1-7(2)9-3-8(6-11)4-10-5-9/h3-7H,1-2H3
InChIKey
YCXLDSHGHNLZAS-UHFFFAOYSA-N
Synonyms
5-Isopropylnicotinaldehyde 5-(propan-2-yl)pyridine-3-carbaldehyde MFCD18256094 5-propan-2-ylpyridine-3-carbaldehyde 5-isopropylpyridine-3-carbaldehyde

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.71
TPSA
29.96

LogP / Solubility

WLOGP
2.02
MLOGP
1.77
XLogP3
1.4
Consensus LogP
1.73
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately 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)
-2.2

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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