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CAS 113118-83-5 5-METHOXY-PYRIDINE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 113118-83-5

5-METHOXY-PYRIDINE-3-CARBALDEHYDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 1g / 5g / 25g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-013306
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 113118-83-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shanghai Inquiry
10g >97% 2 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

113118-83-5 / 5-methoxypyridine-3-carbaldehyde

5-Methoxy-3-pyridinecarboxaldehyde | RefChem:536693 | 626-386-6

Standard CAS: 113118-83-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113118-83-5
Multi CAS
No
Molecular Formula
C7H7NO2
Molecular Weight
137.140000
Exact Mass
137.047678
SMILES
COC1=CN=CC(=C1)C=O
InChI
InChI=1S/C7H7NO2/c1-10-7-2-6(5-9)3-8-4-7/h2-5H,1H3
InChIKey
YOVIXSRXKCZJRN-UHFFFAOYSA-N
Synonyms
5-Methoxy-3-pyridinecarboxaldehyde RefChem:536693 626-386-6 5-Methoxynicotinaldehyde 5-methoxypyridine-3-carbaldehyde

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
36.18
TPSA
39.19

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.3
Consensus LogP
0.66
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-2.92

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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