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CAS 2199-90-8 Ethyl 6-Bromocoumarin-3-carboxylate molecular structure lightbox
CAS RN: 2199-90-8

Ethyl 6-Bromocoumarin-3-carboxylate

Product Availability

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8 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 1g In stock Inquiry
Batchno.20260302 25g In stock Inquiry
Batchno.20250303 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 1g Out of stock Inquiry
Batchno.20251214 250mg Out of stock Inquiry
Batchno.20250323 25g Out of stock Inquiry
Batchno.20250327 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251202 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-105779
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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: 5g
  • 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 2199-90-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

2199-90-8 / ethyl 6-bromo-2-oxochromene-3-carboxylate

Standard CAS: 2199-90-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2199-90-8
Multi CAS
No
Molecular Formula
C12H9BrO4
Molecular Weight
297.100000
Exact Mass
295.968420
SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O
InChI
InChI=1S/C12H9BrO4/c1-2-16-11(14)9-6-7-5-8(13)3-4-10(7)17-12(9)15/h3-6H,2H2,1H3
InChIKey
RXGDNKCWEKUYQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
66.14
TPSA
56.51

LogP / Solubility

WLOGP
2.73
MLOGP
2.42
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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