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CAS 591-11-7 BETA-ANGELICA LACTONE molecular structure lightbox
CAS RN: 591-11-7

BETA-ANGELICA LACTONE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251120 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260125 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251014 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20251226 5g Out of stock Inquiry
  • Product code: SSC-167485
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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 591-11-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

591-11-7 / 2-methyl-2H-furan-5-one

Standard CAS: 591-11-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
591-11-7
Multi CAS
No
Molecular Formula
C5H6O2
Molecular Weight
98.100000
Exact Mass
98.036779
InChI
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3
InChIKey
BGLUXFNVVSVEET-UHFFFAOYSA-N

Physical Properties

Melting Point
18 °C
Boiling Point
208.00 to 210.00 °C. @ 760.00 mm Hg
Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
24.69
TPSA
26.3

LogP / Solubility

WLOGP
0.49
MLOGP
0.42
XLogP3
0.6
Consensus LogP
0.5
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very 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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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