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CAS 1186047-15-3 4-Fluoro-2-formylbenzoic acid molecular structure lightbox
CAS RN: 1186047-15-3

4-Fluoro-2-formylbenzoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018448
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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 1186047-15-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1186047-15-3 / 4-fluoro-2-formylbenzoic acid

4-fluoro-2-formylbenzoic acid | RefChem:523093 | 825-183-1

Standard CAS: 1186047-15-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1186047-15-3
Multi CAS
No
Molecular Formula
C8H5FO3
Molecular Weight
168.120000
Exact Mass
168.022272
SMILES
C1=CC(=C(C=C1F)C=O)C(=O)O
InChI
InChI=1S/C8H5FO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4H,(H,11,12)
InChIKey
KLAAXTKTDRQPOF-UHFFFAOYSA-N
Synonyms
4-fluoro-2-formylbenzoic acid RefChem:523093 825-183-1 MFCD20658188 2-carboxy-5-fluorobenzaldehyde

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.75
TPSA
54.37

LogP / Solubility

WLOGP
1.34
MLOGP
1.17
XLogP3
1
Consensus LogP
1.17
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.8

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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