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CAS 90415-17-1 5,7-DIBROMO-BENZOFURAN-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 90415-17-1

5,7-DIBROMO-BENZOFURAN-2-CARBOXYLIC ACID

  • Product code: SSC-202928
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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 90415-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

90415-17-1 / 5,7-dibromo-1-benzofuran-2-carboxylic acid

Standard CAS: 90415-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90415-17-1
Multi CAS
No
Molecular Formula
C9H4BR2O3
Molecular Weight
319.930000
Exact Mass
319.850670
InChI
InChI=1S/C9H4Br2O3/c10-5-1-4-2-7(9(12)13)14-8(4)6(11)3-5/h1-3H,(H,12,13)
InChIKey
PTCVMMBMRYJVFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.57
TPSA
50.44

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
3.6
Consensus LogP
3.5
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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)
-2.08

Drug-likeness / Medicinal Chemistry

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

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