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CAS 270088-04-5 7-Ethynylcoumarin molecular structure lightbox
CAS RN: 270088-04-5

7-Ethynylcoumarin

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250908 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-125576
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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 270088-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

270088-04-5 / 7-ethynylchromen-2-one

Standard CAS: 270088-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
270088-04-5
Multi CAS
No
Molecular Formula
C11H6O2
Molecular Weight
170.160000
Exact Mass
170.036779
InChI
InChI=1S/C11H6O2/c1-2-8-3-4-9-5-6-11(12)13-10(9)7-8/h1,3-7H
InChIKey
NGKXZMHLZMPKFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.42
TPSA
30.21

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.5

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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