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CAS 4828-13-1 2-(diethoxymethyl)-4,5-dibromofuran molecular structure lightbox
CAS RN: 4828-13-1

2-(diethoxymethyl)-4,5-dibromofuran

  • Product code: SSC-155168
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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 4828-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4828-13-1 / 2,3-dibromo-5-(diethoxymethyl)furan

Standard CAS: 4828-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4828-13-1
Multi CAS
No
Molecular Formula
C9H12BR2O3
Molecular Weight
328.000000
Exact Mass
327.913270
InChI
InChI=1S/C9H12Br2O3/c1-3-12-9(13-4-2)7-5-6(10)8(11)14-7/h5,9H,3-4H2,1-2H3
InChIKey
WCKXAULJUIQHHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
60.1
TPSA
31.6

LogP / Solubility

WLOGP
3.88
MLOGP
3.43
XLogP3
3.1
Consensus LogP
3.47
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

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

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