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CAS 35351-48-5 6-Methoxy-1-benzofuran-2-carbonitrile molecular structure lightbox
CAS RN: 35351-48-5

6-Methoxy-1-benzofuran-2-carbonitrile

  • Product code: SSC-142335
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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 35351-48-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

35351-48-5 / 6-methoxy-1-benzofuran-2-carbonitrile

Standard CAS: 35351-48-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35351-48-5
Multi CAS
No
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
InChI
InChI=1S/C10H7NO2/c1-12-8-3-2-7-4-9(6-11)13-10(7)5-8/h2-5H,1H3
InChIKey
PEZFGESNNLURKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.48
TPSA
46.16

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.13

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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