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CAS 59862-77-0 methyl 3-bromofuran-2-carboxylate molecular structure lightbox
CAS RN: 59862-77-0

methyl 3-bromofuran-2-carboxylate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260306 100mg In stock Shanghai Inquiry
Batchno.20250822 1g In stock Shanghai Inquiry
Batchno.20250903 250mg In stock Shanghai Inquiry
  • Product code: SSC-168431
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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: 0.1g
  • 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 59862-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry

59862-77-0 / methyl 3-bromofuran-2-carboxylate

Standard CAS: 59862-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59862-77-0
Multi CAS
No
Molecular Formula
C6H5BRO3
Molecular Weight
205.010000
Exact Mass
203.942210
InChI
InChI=1S/C6H5BrO3/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChIKey
GBDHWJDDTHNXNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.75
TPSA
39.44

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.9
Consensus LogP
1.78
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

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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