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CAS 5043-00-5 Methyl 6-Fluoro-2-naphthoate molecular structure lightbox
CAS RN: 5043-00-5

Methyl 6-Fluoro-2-naphthoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-156962
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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 5043-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5043-00-5 / methyl 6-fluoronaphthalene-2-carboxylate

Standard CAS: 5043-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5043-00-5
Multi CAS
No
Molecular Formula
C12FH9O2
Molecular Weight
204.200000
Exact Mass
204.058658
InChI
InChI=1S/C12H9FO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3
InChIKey
FXLVPMMENJMZBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.25
TPSA
26.3

LogP / Solubility

WLOGP
2.77
MLOGP
2.43
XLogP3
3.1
Consensus LogP
2.77
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

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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