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CAS 29681-98-9 1-(4-Fluorophenyl)-1,3-butanedione molecular structure lightbox
CAS RN: 29681-98-9

1-(4-Fluorophenyl)-1,3-butanedione

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251026 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260207 100g Out of stock Inquiry
Batchno.20250114 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250223 25g In stock Chengdu Inquiry
Batchno.20260327 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-132763
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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: 5g
  • 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 29681-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

29681-98-9 / 1-(4-fluorophenyl)butane-1,3-dione

Standard CAS: 29681-98-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29681-98-9
Multi CAS
Yes
Molecular Formula
C10FH9O2
Molecular Weight
180.170000
Exact Mass
180.058658
InChI
InChI=1S/C10H9FO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKey
GEFZIAWNHFKQDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.03
TPSA
34.14

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.6
Consensus LogP
1.78
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.41

Drug-likeness / Medicinal Chemistry

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

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