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CAS 106531-57-1 Furo[2,3-c]pyridine, 3-methyl- (9CI) molecular structure lightbox
CAS RN: 106531-57-1

Furo[2,3-c]pyridine, 3-methyl- (9CI)

  • Product code: SSC-008172
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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 106531-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

106531-57-1 / 3-methylfuro[2,3-c]pyridine

3-Methylfuro[2,3-c]pyridine | Furo[2,3-c]pyridine, 3-methyl- (9CI) | SCHEMBL8341650

Standard CAS: 106531-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106531-57-1
Multi CAS
No
Molecular Formula
C8H7NO
Molecular Weight
133.150000
Exact Mass
133.052764
SMILES
CC1=COC2=C1C=CN=C2
InChI
InChI=1S/C8H7NO/c1-6-5-10-8-4-9-3-2-7(6)8/h2-5H,1H3
InChIKey
XQCMDWFUTKIKOW-UHFFFAOYSA-N
Synonyms
3-Methylfuro[2,3-c]pyridine Furo[2,3-c]pyridine, 3-methyl- (9CI) SCHEMBL8341650 DTXSID80577826 Furo[2,3-c]pyridine, 3-methyl-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
38.75
TPSA
26.03

LogP / Solubility

WLOGP
2.14
MLOGP
1.87
XLogP3
1.6
Consensus LogP
1.87
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

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

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