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CAS 57543-66-5 2H-CHROMENE-3-CARBONITRILE molecular structure lightbox
CAS RN: 57543-66-5

2H-CHROMENE-3-CARBONITRILE

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 1g In stock Inquiry
Batchno.20260104 250mg In stock Inquiry
Batchno.20260503 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 1g In stock Wuhan, Chengdu Inquiry
Batchno.20250312 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251115 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260211 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-165718
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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: ＞97%
  • 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 57543-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

57543-66-5 / 2H-chromene-3-carbonitrile

Standard CAS: 57543-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57543-66-5
Multi CAS
No
Molecular Formula
C10H7NO
Molecular Weight
157.170000
Exact Mass
157.052764
InChI
InChI=1S/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2
InChIKey
NQOLOKKZYCSJRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
45.53
TPSA
33.02

LogP / Solubility

WLOGP
1.99
MLOGP
1.74
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.27

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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