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CAS 3855-87-6 6,8-DIBROMOCOUMARIN-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 3855-87-6

6,8-DIBROMOCOUMARIN-3-CARBOXYLIC ACID

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250218 250mg In stock Shanghai Inquiry
Batchno.20260404 5g Out of stock Inquiry
  • Product code: SSC-146195
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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 3855-87-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3855-87-6 / 6,8-dibromo-2-oxochromene-3-carboxylic acid

Standard CAS: 3855-87-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3855-87-6
Multi CAS
Yes
Molecular Formula
C10H4BR2O4
Molecular Weight
347.940000
Exact Mass
347.845580
InChI
InChI=1S/C10H4Br2O4/c11-5-1-4-2-6(9(13)14)10(15)16-8(4)7(12)3-5/h1-3H,(H,13,14)
InChIKey
KJFIZDKBEUTEPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.84
TPSA
67.51

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
3.6
Consensus LogP
3.1
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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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