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CAS 705-83-9 3-(3-fluorophenyl)propiolic acid molecular structure lightbox
CAS RN: 705-83-9

3-(3-fluorophenyl)propiolic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250429 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-180279
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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 705-83-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

705-83-9 / 3-(3-fluorophenyl)prop-2-ynoic acid

Standard CAS: 705-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
705-83-9
Multi CAS
No
Molecular Formula
C9FH5O2
Molecular Weight
164.130000
Exact Mass
164.027358
InChI
InChI=1S/C9H5FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,(H,11,12)
InChIKey
NNOYZYGSKUOROV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.91
TPSA
37.3

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
2.1
Consensus LogP
1.49
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-2.83

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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